data_2lzi_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lzi _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 N--CA 1.428 -1.538 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.1 m -118.93 153.23 34.94 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.761 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -125.62 99.89 6.2 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.4 m -82.6 104.82 13.15 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.66 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.9 mt -95.49 123.2 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.003 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.89 150.03 45.13 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 120.815 0.341 . . . . 0.0 111.754 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.12 -103.47 2.86 Favored Glycine 0 N--CA 1.425 -2.073 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -84.89 -68.43 0.72 Allowed 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -132.91 -11.28 2.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mm -86.71 139.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 62.4 m -140.43 158.82 43.43 Favored 'General case' 0 C--N 1.27 -2.879 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.23 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.1 mmp_? -139.69 112.29 7.84 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -96.07 99.48 11.23 Favored 'General case' 0 N--CA 1.41 -2.441 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.649 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.3 pt -90.24 120.22 38.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.878 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.6 m -110.0 118.49 36.56 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.632 0 C-N-CA 119.705 -1.236 . . . . 0.0 111.807 -176.363 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 tt . . . . . 0 N--CA 1.438 -1.062 0 CA-C-O 120.902 0.382 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.3 m -121.83 147.43 45.97 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.201 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -130.73 124.17 30.89 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.192 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.6 m -95.81 102.61 14.43 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 121.56 0.695 . . . . 0.0 110.038 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.95 133.18 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.58 153.38 46.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.89 -104.36 2.67 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -92.41 -53.16 4.33 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.73 -11.33 1.8 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.5 147.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.15 159.4 42.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -152.39 111.5 3.85 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.116 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.4 m -89.3 99.44 12.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tt -97.83 119.87 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.652 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.215 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.6 m -93.74 123.71 37.26 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.105 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.992 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -179.455 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.2 mt . . . . . 0 C--O 1.247 0.932 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 m -118.91 146.33 45.02 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -110.67 110.83 21.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.72 102.85 15.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-O 121.593 0.711 . . . . 0.0 112.026 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -91.21 131.51 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.755 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -121.86 142.16 50.53 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 120.681 0.277 . . . . 0.0 110.496 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.01 -112.4 3.59 Favored Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 28.8 ptt-85 -71.11 -43.04 68.45 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 3.4 mmp_? -159.96 -37.56 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.747 0.819 . . . . 0.0 111.436 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.75 143.66 13.14 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.7 m -121.43 156.2 33.22 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.395 0.617 . . . . 0.0 110.891 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -127.86 104.72 7.98 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 114.135 -1.393 . . . . 0.0 108.087 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.9 m -92.22 102.55 15.06 Favored 'General case' 0 N--CA 1.416 -2.129 0 CA-C-O 121.384 0.612 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 tp -88.18 124.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.743 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -101.48 126.97 48.34 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.406 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.87 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.239 -177.672 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.3 mt . . . . . 0 N--CA 1.423 -1.8 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.1 m -123.41 137.88 54.72 Favored 'General case' 0 N--CA 1.415 -2.22 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.974 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -83.58 103.9 13.28 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.271 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.2 m -96.7 123.3 40.35 Favored 'General case' 0 N--CA 1.41 -2.449 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.767 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 pt -126.64 138.23 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -102.99 145.16 30.29 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.084 0.469 . . . . 0.0 112.025 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -116.09 2.61 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.23 -37.15 14.32 Favored 'General case' 0 C--N 1.288 -2.088 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.93 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -137.15 -55.03 0.71 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.266 1.032 . . . . 0.0 109.804 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.5 154.48 4.69 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.206 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.6 m -126.05 152.01 46.37 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 ttp180 -117.15 115.98 26.4 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.79 99.9 9.48 Favored 'General case' 0 N--CA 1.418 -2.036 0 O-C-N 123.731 0.644 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.38 117.21 31.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -85.13 135.38 34.0 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.84 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.013 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.5 mm . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 12.5 m -121.69 145.71 47.75 Favored 'General case' 0 C--N 1.286 -2.195 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 mtt180 -108.5 115.71 30.61 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m -97.97 100.26 11.59 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.025 0.441 . . . . 0.0 111.793 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 pt -98.86 129.51 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.474 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -117.13 155.17 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.03 -113.15 1.95 Allowed Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' HG3' ' H ' ' A' ' 10' ' ' ARG . 2.3 ptm180 -69.85 -60.41 2.32 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.275 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 37.5 mmt180 -146.88 4.67 0.86 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.6 mt -124.65 149.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -125.5 159.82 31.04 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-O 121.33 0.586 . . . . 0.0 109.525 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -134.96 101.83 5.02 Favored 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 81.8 m -93.32 105.26 17.35 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -99.47 125.72 52.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 68.1 m -94.84 123.48 38.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.59 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -177.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt . . . . . 0 N--CA 1.432 -1.371 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 23.0 m -110.14 144.52 38.64 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 121.489 0.661 . . . . 0.0 110.504 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -114.52 114.98 26.49 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.642 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.8 m -89.58 99.23 12.28 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 121.736 0.779 . . . . 0.0 110.598 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 pt -97.55 140.25 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.833 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -118.26 144.66 45.62 Favored 'General case' 0 C--N 1.282 -2.342 0 CA-C-O 120.904 0.383 . . . . 0.0 111.396 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -104.96 1.77 Allowed Glycine 0 N--CA 1.427 -1.942 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -94.69 -55.62 3.06 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -138.33 -2.4 1.82 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -116.59 151.75 18.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.7 m -129.93 157.54 42.0 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.266 0.555 . . . . 0.0 110.37 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -134.61 123.68 24.18 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -91.49 99.28 12.24 Favored 'General case' 0 N--CA 1.408 -2.537 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.3 tt -95.49 116.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.839 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.021 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m -81.39 135.33 35.66 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.118 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.604 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.195 -177.044 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 N--CA 1.429 -1.49 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.7 m -129.64 150.82 50.8 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.568 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -109.81 109.48 20.16 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.0 m -108.32 112.38 24.8 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -92.18 144.96 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.737 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.5 147.32 49.85 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.518 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.54 3.5 Favored Glycine 0 CA--C 1.493 -1.301 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -73.08 -31.9 64.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 123.802 0.354 . . . . 0.0 110.525 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -172.52 -39.56 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.224 0 CA-C-O 121.675 0.75 . . . . 0.0 109.402 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -72.12 144.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.242 0 CA-C-N 114.476 -1.238 . . . . 0.0 107.866 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.69 160.08 24.03 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.74 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -129.02 108.61 10.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.8 m -102.45 124.5 48.12 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.789 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 tt -108.55 132.73 55.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 172.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.9 m -116.7 147.88 41.58 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.845 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.591 0 N-CA-C 107.387 -2.285 . . . . 0.0 107.387 173.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.429 -1.49 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.6 m -119.7 148.92 42.81 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.391 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -132.07 122.03 24.78 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.925 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.0 m -99.46 117.56 34.14 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-O 121.169 0.509 . . . . 0.0 110.559 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -112.06 146.73 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.04 142.32 51.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 120.983 0.42 . . . . 0.0 111.558 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.73 -110.69 3.45 Favored Glycine 0 N--CA 1.427 -1.921 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.464 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 123.319 0.648 . . . . 0.0 109.7 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -172.64 -38.36 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.707 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.16 151.05 7.24 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-N 114.118 -1.401 . . . . 0.0 107.563 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -126.73 159.44 33.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.859 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -134.59 119.38 18.31 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.1 m -98.46 100.65 11.93 Favored 'General case' 0 N--CA 1.415 -2.182 0 CA-C-O 121.27 0.557 . . . . 0.0 110.187 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.73 145.31 8.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.9 m -130.93 147.95 52.64 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.755 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.551 179.557 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mm . . . . . 0 C--O 1.246 0.914 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.9 m -109.45 149.04 30.15 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -156.38 142.43 18.1 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -101.83 102.21 12.78 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.377 0.608 . . . . 0.0 109.504 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -82.04 124.47 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.912 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.8 m -113.18 146.96 38.38 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.948 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.14 -104.99 2.99 Favored Glycine 0 N--CA 1.425 -2.07 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -88.45 -63.83 1.24 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -129.4 -15.37 4.09 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 mm -95.21 148.17 5.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -137.11 156.32 48.51 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -133.05 113.71 13.1 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.244 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.6 m -87.86 99.81 12.4 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.2 pt -109.09 154.5 10.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.403 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -120.04 115.21 23.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.679 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.943 -174.134 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.9 m -126.02 148.75 49.22 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -124.79 114.45 19.26 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 55.7 m -102.04 117.16 34.22 Favored 'General case' 0 N--CA 1.409 -2.48 0 CA-C-O 121.428 0.632 . . . . 0.0 111.454 -175.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 pt -91.92 136.17 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 173.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.01 149.6 45.86 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.92 -114.02 3.7 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -79.4 -63.29 1.45 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -141.63 5.67 1.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.869 0.366 . . . . 0.0 111.874 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -115.19 149.37 17.43 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.3 m -131.84 165.43 23.85 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.2 0.524 . . . . 0.0 110.831 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -123.83 111.69 16.41 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -95.37 109.82 21.93 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.407 0.622 . . . . 0.0 111.128 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.8 mm -93.2 115.04 31.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -106.78 146.73 30.52 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.161 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.13 178.11 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.424 -1.733 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.5 m -102.26 154.14 19.32 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.13 0.49 . . . . 0.0 110.249 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -129.8 109.45 10.95 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.39 99.29 11.52 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.1 pt -89.29 147.44 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.245 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.188 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -137.63 135.8 36.91 Favored 'General case' 0 C--N 1.278 -2.523 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -116.78 3.44 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -110.6 -14.07 14.12 Favored 'General case' 0 N--CA 1.416 -2.141 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.964 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HG3' HG13 ' A' ' 11' ' ' ILE . 15.8 ptt180 -149.92 -4.34 0.37 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.413 HG13 ' HG3' ' A' ' 10' ' ' ARG . 19.6 mt -128.02 154.9 39.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 71.1 m -136.16 162.95 31.52 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -162.22 123.04 2.57 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.0 m -93.64 100.68 12.88 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-O 121.822 0.82 . . . . 0.0 110.499 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.9 127.77 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.42 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -123.01 121.27 35.67 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.066 0 C-N-CA 119.698 -1.239 . . . . 0.0 113.345 -179.026 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.242 0.682 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -135.03 150.39 50.29 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.439 1.095 . . . . 0.0 108.998 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -142.31 133.68 26.4 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.239 0.616 . . . . 0.0 109.604 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.3 m -99.07 103.64 15.58 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.844 0.83 . . . . 0.0 109.934 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 32.6 pt -101.44 141.73 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.094 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.822 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -126.56 137.79 53.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.04 -119.13 3.95 Favored Glycine 0 C--N 1.299 -1.515 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -89.01 -15.4 34.21 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.748 0.308 . . . . 0.0 111.209 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -163.26 -39.0 0.03 OUTLIER 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.78 0.8 . . . . 0.0 111.905 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.5 mt -81.85 148.81 5.1 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.682 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 67.0 m -137.14 157.91 45.61 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -163.4 132.85 4.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -93.32 99.19 11.77 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.6 pt -83.47 142.19 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.837 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.3 m -136.08 136.94 40.58 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.569 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.528 0 N-CA-C 107.246 -2.342 . . . . 0.0 107.246 171.583 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 52.3 mt . . . . . 0 N--CA 1.434 -1.247 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.1 m -127.0 154.56 44.46 Favored 'General case' 0 C--N 1.272 -2.773 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.956 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.96 129.47 22.6 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.378 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.0 m -103.38 115.49 30.65 Favored 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.644 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pp -104.67 148.17 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.184 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -125.5 162.28 25.25 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.143 0.497 . . . . 0.0 112.054 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.0 -114.91 3.9 Favored Glycine 0 N--CA 1.419 -2.455 0 N-CA-C 106.213 -2.755 . . . . 0.0 106.213 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -99.84 -44.87 5.91 Favored 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.843 172.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -123.69 -29.02 3.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.96 145.57 9.96 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.09 156.81 43.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.05 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -135.26 118.58 16.71 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.267 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.8 m -100.42 107.86 19.71 Favored 'General case' 0 N--CA 1.419 -1.986 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.349 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 pt -101.84 148.09 7.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.16 144.86 50.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.512 0 N-CA-C 107.847 -2.101 . . . . 0.0 107.847 173.669 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.442 -0.857 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 64.4 m -127.13 141.51 51.74 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 177.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -137.34 125.39 22.88 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 123.282 0.633 . . . . 0.0 109.474 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.6 m -93.7 101.14 13.26 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-O 121.408 0.623 . . . . 0.0 109.622 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.5 mt -82.91 134.96 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.069 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.5 m -131.24 144.02 51.0 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.231 0.539 . . . . 0.0 111.454 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.24 -132.51 7.65 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -79.98 -33.7 39.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 117.413 0.606 . . . . 0.0 110.692 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -149.82 -1.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -109.31 146.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 75.8 m -142.33 159.4 42.32 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -165.41 135.17 3.54 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 123.957 0.785 . . . . 0.0 109.144 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.4 m -102.26 111.74 24.15 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-O 121.218 0.533 . . . . 0.0 110.691 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 3.0 mp -97.31 129.91 46.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.89 116.57 28.76 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.502 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.433 -176.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.3 m -118.39 151.97 36.74 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.239 0.543 . . . . 0.0 111.137 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -125.32 120.89 32.42 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.6 m -118.18 120.82 38.87 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.184 0.516 . . . . 0.0 112.171 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 pt -100.91 137.27 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 173.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.6 m -144.39 148.78 35.1 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-O 120.847 0.355 . . . . 0.0 110.752 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.04 -124.06 4.43 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 106.99 -2.444 . . . . 0.0 106.99 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -114.02 4.34 15.66 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 117.609 0.705 . . . . 0.0 110.096 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -143.1 -61.72 0.42 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.576 0.703 . . . . 0.0 111.233 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 mt -91.07 149.75 3.97 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.948 -174.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.9 m -137.41 166.61 23.41 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.352 0.596 . . . . 0.0 111.42 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -145.99 114.37 6.7 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 125.355 1.462 . . . . 0.0 108.16 175.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.8 m -110.61 111.78 23.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mm -102.14 118.47 49.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.3 m -97.59 131.21 44.39 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.424 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.845 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.211 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 20.0 mt . . . . . 0 N--CA 1.431 -1.385 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 51.2 m -109.1 154.26 22.53 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.356 0.598 . . . . 0.0 109.887 175.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -123.89 119.83 30.79 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.0 m -94.95 99.9 11.85 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-O 121.54 0.686 . . . . 0.0 110.353 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 pt -102.36 152.87 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.791 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.708 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.59 146.78 50.75 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.006 0.431 . . . . 0.0 111.016 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.94 -107.63 2.47 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -80.26 -60.28 2.39 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -144.57 -0.39 0.95 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.151 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.75 144.95 14.98 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.3 m -126.25 162.3 25.76 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 123.402 0.439 . . . . 0.0 109.979 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -151.88 132.33 13.8 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.56 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.8 m -100.45 109.21 21.34 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.128 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 8.1 tt -102.96 126.74 57.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 2' ' ' ILE . 2.3 m -99.24 134.98 41.31 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 122.696 0.398 . . . . 0.0 111.433 176.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.02 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 176.825 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--O 1.248 0.986 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.0 m -91.42 143.9 26.14 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -121.37 126.5 49.56 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.491 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -94.4 107.51 19.47 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.737 0.779 . . . . 0.0 110.641 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.7 mm -87.71 133.71 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.255 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -119.19 138.99 52.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.56 -107.32 2.93 Favored Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -99.53 -62.16 1.27 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 120.87 0.366 . . . . 0.0 110.351 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -125.43 -5.27 7.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mt -116.14 149.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -132.27 168.56 17.85 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -159.6 135.76 8.87 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.4 m -95.36 109.35 21.52 Favored 'General case' 0 C--N 1.287 -2.136 0 CA-C-O 122.09 0.948 . . . . 0.0 110.829 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.3 129.38 43.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.631 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -118.59 154.13 33.12 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.884 0 C-N-CA 119.132 -1.508 . . . . 0.0 113.057 178.815 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.433 -1.291 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.5 m -113.1 147.36 37.47 Favored 'General case' 0 N--CA 1.42 -1.951 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.5 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.2 101.78 10.51 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -95.29 101.36 13.09 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.819 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.4 mm -78.19 112.07 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.913 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.3 m -126.73 143.96 51.08 Favored 'General case' 0 C--N 1.274 -2.699 0 O-C-N 123.759 0.662 . . . . 0.0 111.484 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.44 -134.91 5.87 Favored Glycine 0 N--CA 1.413 -2.855 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -79.78 -44.67 20.23 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 117.317 0.559 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.24 -16.86 4.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 112.047 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -104.2 145.49 12.89 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 93.1 m -143.2 162.96 34.22 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 123.948 0.899 . . . . 0.0 109.941 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -155.19 107.2 2.67 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.9 m -95.1 110.46 22.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 120.983 0.421 . . . . 0.0 112.129 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.43 118.41 46.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.89 117.54 30.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.177 0.513 . . . . 0.0 111.447 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.211 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.708 -175.761 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.427 -1.576 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.4 m -95.56 139.49 31.75 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -101.94 110.54 22.54 Favored 'General case' 0 C--N 1.264 -3.123 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.9 102.05 14.33 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-O 121.644 0.735 . . . . 0.0 110.584 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.1 pt -97.6 132.25 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.847 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.075 0.464 . . . . 0.0 112.043 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.87 -97.22 2.5 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -78.65 -78.76 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -136.36 -1.69 2.31 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.726 173.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.79 145.66 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -124.13 157.21 35.18 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-O 121.535 0.683 . . . . 0.0 109.833 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -119.68 107.03 12.73 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.39 99.57 12.3 Favored 'General case' 0 N--CA 1.411 -2.395 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 pt -101.05 115.98 43.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.504 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.82 163.89 16.97 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.041 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.553 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.664 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 C--O 1.249 1.057 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -109.22 150.06 28.48 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -124.4 120.09 31.1 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 75.6 m -91.39 100.6 13.35 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-O 121.345 0.593 . . . . 0.0 111.012 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.1 pt -109.4 151.11 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.776 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.825 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.7 m -130.8 143.78 50.98 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.259 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.37 -95.57 1.5 Allowed Glycine 0 CA--C 1.489 -1.558 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.24 -76.2 0.45 Allowed 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -125.95 -0.07 7.26 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 111.702 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 mt -89.21 141.96 13.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -139.92 159.0 43.16 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -160.66 129.26 4.67 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.621 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.1 m -91.53 99.54 12.46 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.74 132.69 32.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.038 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -115.1 175.33 5.55 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.87 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.392 178.217 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 114.695 0.638 . . . . 0.0 114.695 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -130.88 151.41 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.1 m -118.93 153.23 34.94 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.761 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -125.62 99.89 6.2 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.4 m -82.6 104.82 13.15 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.66 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.9 mt -95.49 123.2 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.003 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.89 150.03 45.13 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 120.815 0.341 . . . . 0.0 111.754 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.12 -103.47 2.86 Favored Glycine 0 N--CA 1.425 -2.073 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -84.89 -68.43 0.72 Allowed 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -132.91 -11.28 2.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mm -86.71 139.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 62.4 m -140.43 158.82 43.43 Favored 'General case' 0 C--N 1.27 -2.879 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.23 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.1 mmp_? -139.69 112.29 7.84 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -96.07 99.48 11.23 Favored 'General case' 0 N--CA 1.41 -2.441 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.649 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.3 pt -90.24 120.22 38.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.878 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.6 m -110.0 118.49 36.56 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.68 -70.81 0.78 Allowed Glycine 0 N--CA 1.432 -1.632 0 C-N-CA 119.705 -1.236 . . . . 0.0 111.807 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--N 1.304 -1.386 0 CA-C-O 120.775 0.321 . . . . 0.0 111.293 -179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.918 0 N-CA-C 112.829 -0.108 . . . . 0.0 112.829 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 tt -134.03 152.91 35.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 O-C-N 122.444 -0.445 . . . . 0.0 110.688 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.3 m -121.83 147.43 45.97 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.201 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -130.73 124.17 30.89 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.192 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.6 m -95.81 102.61 14.43 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 121.56 0.695 . . . . 0.0 110.038 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.95 133.18 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.58 153.38 46.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.89 -104.36 2.67 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -92.41 -53.16 4.33 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.73 -11.33 1.8 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.5 147.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.15 159.4 42.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -152.39 111.5 3.85 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.116 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.4 m -89.3 99.44 12.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tt -97.83 119.87 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.652 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.215 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.6 m -93.74 123.71 37.26 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.105 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.21 -91.57 1.64 Allowed Glycine 0 N--CA 1.426 -1.992 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 . . . . . 0 C--N 1.294 -1.83 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.609 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 112.932 -0.067 . . . . 0.0 112.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.2 mt -121.37 145.85 27.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 m -118.91 146.33 45.02 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -110.67 110.83 21.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.72 102.85 15.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-O 121.593 0.711 . . . . 0.0 112.026 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -91.21 131.51 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.755 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -121.86 142.16 50.53 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 120.681 0.277 . . . . 0.0 110.496 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.01 -112.4 3.59 Favored Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 28.8 ptt-85 -71.11 -43.04 68.45 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 9' ' ' ARG . 3.4 mmp_? -159.96 -37.56 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.747 0.819 . . . . 0.0 111.436 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.75 143.66 13.14 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.7 m -121.43 156.2 33.22 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.395 0.617 . . . . 0.0 110.891 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -127.86 104.72 7.98 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 114.135 -1.393 . . . . 0.0 108.087 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.9 m -92.22 102.55 15.06 Favored 'General case' 0 N--CA 1.416 -2.129 0 CA-C-O 121.384 0.612 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 tp -88.18 124.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.743 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -101.48 126.97 48.34 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.406 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.31 -64.64 1.07 Allowed Glycine 0 N--CA 1.428 -1.87 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.239 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 . . . . . 0 N--CA 1.431 -1.42 0 CA-C-O 121.59 0.71 . . . . 0.0 109.148 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.875 0 CA-C-O 120.771 0.095 . . . . 0.0 113.201 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.3 mt -118.29 151.38 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.8 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.1 m -123.41 137.88 54.72 Favored 'General case' 0 N--CA 1.415 -2.22 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.974 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -83.58 103.9 13.28 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.271 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.2 m -96.7 123.3 40.35 Favored 'General case' 0 N--CA 1.41 -2.449 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.767 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 pt -126.64 138.23 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.6 m -102.99 145.16 30.29 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.084 0.469 . . . . 0.0 112.025 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -116.09 2.61 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.23 -37.15 14.32 Favored 'General case' 0 C--N 1.288 -2.088 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.93 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -137.15 -55.03 0.71 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.266 1.032 . . . . 0.0 109.804 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.5 154.48 4.69 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.206 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.6 m -126.05 152.01 46.37 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 ttp180 -117.15 115.98 26.4 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.79 99.9 9.48 Favored 'General case' 0 N--CA 1.418 -2.036 0 O-C-N 123.731 0.644 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.38 117.21 31.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -85.13 135.38 34.0 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.44 -91.81 2.12 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--N 1.3 -1.553 0 CA-C-O 121.364 0.602 . . . . 0.0 110.056 176.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.938 0.188 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.5 mm -116.71 145.57 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 12.5 m -121.69 145.71 47.75 Favored 'General case' 0 C--N 1.286 -2.195 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 mtt180 -108.5 115.71 30.61 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m -97.97 100.26 11.59 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.025 0.441 . . . . 0.0 111.793 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 pt -98.86 129.51 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.474 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -117.13 155.17 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.03 -113.15 1.95 Allowed Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' HG3' ' H ' ' A' ' 10' ' ' ARG . 2.3 ptm180 -69.85 -60.41 2.32 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.275 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 37.5 mmt180 -146.88 4.67 0.86 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.6 mt -124.65 149.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -125.5 159.82 31.04 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-O 121.33 0.586 . . . . 0.0 109.525 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -134.96 101.83 5.02 Favored 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 81.8 m -93.32 105.26 17.35 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -99.47 125.72 52.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 68.1 m -94.84 123.48 38.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 -72.64 1.26 Allowed Glycine 0 CA--C 1.489 -1.59 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 . . . . . 0 C--N 1.295 -1.792 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 176.175 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.296 0 N-CA-C 113.717 0.247 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt -126.63 159.96 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.371 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 23.0 m -110.14 144.52 38.64 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 121.489 0.661 . . . . 0.0 110.504 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -114.52 114.98 26.49 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.642 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.8 m -89.58 99.23 12.28 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 121.736 0.779 . . . . 0.0 110.598 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 pt -97.55 140.25 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.833 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -118.26 144.66 45.62 Favored 'General case' 0 C--N 1.282 -2.342 0 CA-C-O 120.904 0.383 . . . . 0.0 111.396 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -104.96 1.77 Allowed Glycine 0 N--CA 1.427 -1.942 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -94.69 -55.62 3.06 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -138.33 -2.4 1.82 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -116.59 151.75 18.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.7 m -129.93 157.54 42.0 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.266 0.555 . . . . 0.0 110.37 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -134.61 123.68 24.18 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -91.49 99.28 12.24 Favored 'General case' 0 N--CA 1.408 -2.537 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.3 tt -95.49 116.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.839 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.021 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m -81.39 135.33 35.66 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.118 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.66 -85.85 1.03 Allowed Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.195 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 . . . . . 0 N--CA 1.428 -1.547 0 CA-C-O 121.045 0.45 . . . . 0.0 110.082 179.079 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 113.728 0.251 . . . . 0.0 113.728 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -137.44 151.39 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.7 m -129.64 150.82 50.8 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.568 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -109.81 109.48 20.16 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.0 m -108.32 112.38 24.8 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -92.18 144.96 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.737 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.5 147.32 49.85 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.518 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.54 3.5 Favored Glycine 0 CA--C 1.493 -1.301 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -73.08 -31.9 64.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 123.802 0.354 . . . . 0.0 110.525 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -172.52 -39.56 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.224 0 CA-C-O 121.675 0.75 . . . . 0.0 109.402 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -72.12 144.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.242 0 CA-C-N 114.476 -1.238 . . . . 0.0 107.866 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.69 160.08 24.03 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.74 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -129.02 108.61 10.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.8 m -102.45 124.5 48.12 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.789 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 tt -108.55 132.73 55.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 172.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.9 m -116.7 147.88 41.58 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.845 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.85 -86.64 1.93 Allowed Glycine 0 CA--C 1.489 -1.591 0 N-CA-C 107.387 -2.285 . . . . 0.0 107.387 173.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 . . . . . 0 C--N 1.3 -1.581 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 172.468 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.949 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -88.57 138.57 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.6 m -119.7 148.92 42.81 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.391 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -132.07 122.03 24.78 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.925 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.0 m -99.46 117.56 34.14 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-O 121.169 0.509 . . . . 0.0 110.559 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -112.06 146.73 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.04 142.32 51.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 120.983 0.42 . . . . 0.0 111.558 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.73 -110.69 3.45 Favored Glycine 0 N--CA 1.427 -1.921 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.464 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 123.319 0.648 . . . . 0.0 109.7 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -172.64 -38.36 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.707 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.16 151.05 7.24 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-N 114.118 -1.401 . . . . 0.0 107.563 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -126.73 159.44 33.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.859 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -134.59 119.38 18.31 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.1 m -98.46 100.65 11.93 Favored 'General case' 0 N--CA 1.415 -2.182 0 CA-C-O 121.27 0.557 . . . . 0.0 110.187 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.73 145.31 8.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.9 m -130.93 147.95 52.64 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.67 -77.66 0.17 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.551 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? . . . . . 0 C--N 1.312 -1.053 0 CA-C-O 121.18 0.514 . . . . 0.0 110.13 -178.886 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.92 139.16 51.83 Favored 'Isoleucine or valine' 0 C--O 1.246 0.914 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.9 m -109.45 149.04 30.15 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -156.38 142.43 18.1 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -101.83 102.21 12.78 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.377 0.608 . . . . 0.0 109.504 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -82.04 124.47 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.912 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.8 m -113.18 146.96 38.38 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.948 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.14 -104.99 2.99 Favored Glycine 0 N--CA 1.425 -2.07 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -88.45 -63.83 1.24 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -129.4 -15.37 4.09 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 mm -95.21 148.17 5.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -137.11 156.32 48.51 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -133.05 113.71 13.1 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.244 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.6 m -87.86 99.81 12.4 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.2 pt -109.09 154.5 10.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.403 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.4 m -120.04 115.21 23.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.15 -85.19 1.43 Allowed Glycine 0 N--CA 1.431 -1.679 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.943 -174.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 C--N 1.307 -1.242 0 CA-C-O 121.503 0.668 . . . . 0.0 111.086 -178.409 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.358 0 N-CA-C 114.026 0.37 . . . . 0.0 114.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.7 mm -114.51 147.1 18.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.9 m -126.02 148.75 49.22 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 175.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -124.79 114.45 19.26 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 55.7 m -102.04 117.16 34.22 Favored 'General case' 0 N--CA 1.409 -2.48 0 CA-C-O 121.428 0.632 . . . . 0.0 111.454 -175.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 pt -91.92 136.17 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 173.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.01 149.6 45.86 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.92 -114.02 3.7 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -79.4 -63.29 1.45 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -141.63 5.67 1.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.869 0.366 . . . . 0.0 111.874 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -115.19 149.37 17.43 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.3 m -131.84 165.43 23.85 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.2 0.524 . . . . 0.0 110.831 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -123.83 111.69 16.41 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -95.37 109.82 21.93 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.407 0.622 . . . . 0.0 111.128 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.8 mm -93.2 115.04 31.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -106.78 146.73 30.52 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.161 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.36 -82.2 0.38 Allowed Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.13 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.309 -1.163 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.831 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mt -135.64 144.1 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.733 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.5 m -102.26 154.14 19.32 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.13 0.49 . . . . 0.0 110.249 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -129.8 109.45 10.95 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.39 99.29 11.52 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.1 pt -89.29 147.44 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.245 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.188 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -137.63 135.8 36.91 Favored 'General case' 0 C--N 1.278 -2.523 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -116.78 3.44 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -110.6 -14.07 14.12 Favored 'General case' 0 N--CA 1.416 -2.141 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.964 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HG3' HG13 ' A' ' 11' ' ' ILE . 15.8 ptt180 -149.92 -4.34 0.37 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.413 HG13 ' HG3' ' A' ' 10' ' ' ARG . 19.6 mt -128.02 154.9 39.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 71.1 m -136.16 162.95 31.52 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -162.22 123.04 2.57 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.0 m -93.64 100.68 12.88 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-O 121.822 0.82 . . . . 0.0 110.499 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.9 127.77 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.42 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -123.01 121.27 35.67 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.1 -59.13 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 119.698 -1.239 . . . . 0.0 113.345 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 . . . . . 0 C--N 1.31 -1.131 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -175.378 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.274 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.9 144.35 28.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 O-C-N 122.294 -0.533 . . . . 0.0 109.911 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -135.03 150.39 50.29 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.439 1.095 . . . . 0.0 108.998 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -142.31 133.68 26.4 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.239 0.616 . . . . 0.0 109.604 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.3 m -99.07 103.64 15.58 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.844 0.83 . . . . 0.0 109.934 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 32.6 pt -101.44 141.73 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.094 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.822 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -126.56 137.79 53.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.04 -119.13 3.95 Favored Glycine 0 C--N 1.299 -1.515 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -89.01 -15.4 34.21 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.748 0.308 . . . . 0.0 111.209 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -163.26 -39.0 0.03 OUTLIER 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.78 0.8 . . . . 0.0 111.905 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.5 mt -81.85 148.81 5.1 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.682 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 67.0 m -137.14 157.91 45.61 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -163.4 132.85 4.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.6 m -93.32 99.19 11.77 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.6 pt -83.47 142.19 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.837 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.3 m -136.08 136.94 40.58 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.569 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.25 -123.27 4.74 Favored Glycine 0 N--CA 1.418 -2.528 0 N-CA-C 107.246 -2.342 . . . . 0.0 107.246 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--N 1.287 -2.132 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 174.51 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.526 0 CA-C-O 120.844 0.136 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 52.3 mt -96.14 134.53 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.247 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.1 m -127.0 154.56 44.46 Favored 'General case' 0 C--N 1.272 -2.773 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.956 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.96 129.47 22.6 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.378 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.0 m -103.38 115.49 30.65 Favored 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.644 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pp -104.67 148.17 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.184 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -125.5 162.28 25.25 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.143 0.497 . . . . 0.0 112.054 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.0 -114.91 3.9 Favored Glycine 0 N--CA 1.419 -2.455 0 N-CA-C 106.213 -2.755 . . . . 0.0 106.213 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -99.84 -44.87 5.91 Favored 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.843 172.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -123.69 -29.02 3.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.96 145.57 9.96 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.09 156.81 43.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.05 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -135.26 118.58 16.71 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.267 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.8 m -100.42 107.86 19.71 Favored 'General case' 0 N--CA 1.419 -1.986 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.349 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 pt -101.84 148.09 7.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.16 144.86 50.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.5 -127.13 6.0 Favored Glycine 0 N--CA 1.418 -2.512 0 N-CA-C 107.847 -2.101 . . . . 0.0 107.847 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 . . . . . 0 C--N 1.292 -1.909 0 CA-C-N 117.78 0.79 . . . . 0.0 110.692 176.338 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.844 0.135 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -114.34 144.79 21.16 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 64.4 m -127.13 141.51 51.74 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 177.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -137.34 125.39 22.88 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 123.282 0.633 . . . . 0.0 109.474 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.6 m -93.7 101.14 13.26 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-O 121.408 0.623 . . . . 0.0 109.622 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.5 mt -82.91 134.96 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.069 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.5 m -131.24 144.02 51.0 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.231 0.539 . . . . 0.0 111.454 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.24 -132.51 7.65 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -79.98 -33.7 39.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 117.413 0.606 . . . . 0.0 110.692 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -149.82 -1.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -109.31 146.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 75.8 m -142.33 159.4 42.32 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -165.41 135.17 3.54 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 123.957 0.785 . . . . 0.0 109.144 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.4 m -102.26 111.74 24.15 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-O 121.218 0.533 . . . . 0.0 110.691 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 3.0 mp -97.31 129.91 46.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.89 116.57 28.76 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.77 -79.32 1.45 Allowed Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.433 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 C--N 1.293 -1.859 0 CA-C-O 121.731 0.777 . . . . 0.0 110.838 -178.753 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.928 0 CA-C-O 120.315 -0.158 . . . . 0.0 113.143 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.3 mt -125.51 145.82 32.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.3 m -118.39 151.97 36.74 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.239 0.543 . . . . 0.0 111.137 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -125.32 120.89 32.42 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.6 m -118.18 120.82 38.87 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.184 0.516 . . . . 0.0 112.171 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 pt -100.91 137.27 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 173.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.6 m -144.39 148.78 35.1 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-O 120.847 0.355 . . . . 0.0 110.752 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.04 -124.06 4.43 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 106.99 -2.444 . . . . 0.0 106.99 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -114.02 4.34 15.66 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 117.609 0.705 . . . . 0.0 110.096 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -143.1 -61.72 0.42 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.576 0.703 . . . . 0.0 111.233 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 mt -91.07 149.75 3.97 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.948 -174.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.9 m -137.41 166.61 23.41 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.352 0.596 . . . . 0.0 111.42 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -145.99 114.37 6.7 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 125.355 1.462 . . . . 0.0 108.16 175.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.8 m -110.61 111.78 23.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mm -102.14 118.47 49.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.3 m -97.59 131.21 44.39 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.424 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.47 -107.65 2.55 Favored Glycine 0 N--CA 1.428 -1.845 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.3 -1.56 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.483 0 CA-C-O 121.07 0.261 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 20.0 mt -104.09 141.62 19.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 -178.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 51.2 m -109.1 154.26 22.53 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.356 0.598 . . . . 0.0 109.887 175.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -123.89 119.83 30.79 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.0 m -94.95 99.9 11.85 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-O 121.54 0.686 . . . . 0.0 110.353 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 pt -102.36 152.87 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.791 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.708 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.59 146.78 50.75 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.006 0.431 . . . . 0.0 111.016 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.94 -107.63 2.47 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -80.26 -60.28 2.39 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -144.57 -0.39 0.95 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.151 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.75 144.95 14.98 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.3 m -126.25 162.3 25.76 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 123.402 0.439 . . . . 0.0 109.979 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -151.88 132.33 13.8 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.56 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.8 m -100.45 109.21 21.34 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.128 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 8.1 tt -102.96 126.74 57.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 2' ' ' ILE . 2.3 m -99.24 134.98 41.31 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 122.696 0.398 . . . . 0.0 111.433 176.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -109.64 -61.74 0.52 Allowed Glycine 0 N--CA 1.426 -2.02 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 . . . . . 0 C--N 1.311 -1.094 0 CA-C-O 121.026 0.441 . . . . 0.0 110.791 -178.057 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.589 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.9 mt -145.1 146.95 19.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.0 m -91.42 143.9 26.14 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -121.37 126.5 49.56 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.491 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -94.4 107.51 19.47 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.737 0.779 . . . . 0.0 110.641 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.7 mm -87.71 133.71 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.255 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -119.19 138.99 52.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.56 -107.32 2.93 Favored Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -99.53 -62.16 1.27 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 120.87 0.366 . . . . 0.0 110.351 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -125.43 -5.27 7.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mt -116.14 149.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -132.27 168.56 17.85 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -159.6 135.76 8.87 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.4 m -95.36 109.35 21.52 Favored 'General case' 0 C--N 1.287 -2.136 0 CA-C-O 122.09 0.948 . . . . 0.0 110.829 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.3 129.38 43.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.631 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -118.59 154.13 33.12 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.11 -32.37 0.66 Allowed Glycine 0 N--CA 1.428 -1.884 0 C-N-CA 119.132 -1.508 . . . . 0.0 113.057 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 . . . . . 0 C--N 1.315 -0.892 0 CA-C-O 121.32 0.581 . . . . 0.0 110.547 -176.609 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.483 0 CA-C-O 121.002 0.223 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.8 mm -122.06 149.79 25.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.5 m -113.1 147.36 37.47 Favored 'General case' 0 N--CA 1.42 -1.951 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.5 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.2 101.78 10.51 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -95.29 101.36 13.09 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.819 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.4 mm -78.19 112.07 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.913 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.3 m -126.73 143.96 51.08 Favored 'General case' 0 C--N 1.274 -2.699 0 O-C-N 123.759 0.662 . . . . 0.0 111.484 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.44 -134.91 5.87 Favored Glycine 0 N--CA 1.413 -2.855 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -79.78 -44.67 20.23 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 117.317 0.559 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.24 -16.86 4.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 112.047 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -104.2 145.49 12.89 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 93.1 m -143.2 162.96 34.22 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 123.948 0.899 . . . . 0.0 109.941 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -155.19 107.2 2.67 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.9 m -95.1 110.46 22.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 120.983 0.421 . . . . 0.0 112.129 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.43 118.41 46.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.89 117.54 30.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.177 0.513 . . . . 0.0 111.447 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.74 -110.44 3.02 Favored Glycine 0 N--CA 1.423 -2.211 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.708 -175.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 C--N 1.298 -1.648 0 CA-C-O 121.564 0.697 . . . . 0.0 111.841 -177.815 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.757 0 CA-C-O 121.035 0.241 . . . . 0.0 113.64 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -116.07 149.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.4 m -95.56 139.49 31.75 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -101.94 110.54 22.54 Favored 'General case' 0 C--N 1.264 -3.123 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.9 102.05 14.33 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-O 121.644 0.735 . . . . 0.0 110.584 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.1 pt -97.6 132.25 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.847 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.075 0.464 . . . . 0.0 112.043 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.87 -97.22 2.5 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -78.65 -78.76 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -136.36 -1.69 2.31 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.726 173.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.79 145.66 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -124.13 157.21 35.18 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-O 121.535 0.683 . . . . 0.0 109.833 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -119.68 107.03 12.73 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.39 99.57 12.3 Favored 'General case' 0 N--CA 1.411 -2.395 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 pt -101.05 115.98 43.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.504 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.82 163.89 16.97 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.041 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.78 -49.76 0.04 OUTLIER Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 . . . . . 0 C--N 1.311 -1.083 0 CA-C-O 121.052 0.453 . . . . 0.0 111.829 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.397 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.1 mt -157.7 153.31 6.46 Favored 'Isoleucine or valine' 0 C--O 1.249 1.057 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -109.22 150.06 28.48 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -124.4 120.09 31.1 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 75.6 m -91.39 100.6 13.35 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-O 121.345 0.593 . . . . 0.0 111.012 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.1 pt -109.4 151.11 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.776 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.825 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.7 m -130.8 143.78 50.98 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.259 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.37 -95.57 1.5 Allowed Glycine 0 CA--C 1.489 -1.558 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.24 -76.2 0.45 Allowed 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -125.95 -0.07 7.26 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 111.702 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 mt -89.21 141.96 13.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -139.92 159.0 43.16 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -160.66 129.26 4.67 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.621 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.1 m -91.53 99.54 12.46 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.74 132.69 32.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.038 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -115.1 175.33 5.55 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.23 19.13 5.98 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.392 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 . . . . . 0 C--N 1.321 -0.639 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.64 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 N--CA 1.428 -1.538 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.1 m -118.93 153.23 34.94 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.761 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -125.62 99.89 6.2 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.4 m -82.6 104.82 13.15 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.66 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.9 mt -95.49 123.2 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.003 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.89 150.03 45.13 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 120.815 0.341 . . . . 0.0 111.754 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.12 -103.47 2.86 Favored Glycine 0 N--CA 1.425 -2.073 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -84.89 -68.43 0.72 Allowed 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -132.91 -11.28 2.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mm -86.71 139.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 62.4 m -140.43 158.82 43.43 Favored 'General case' 0 C--N 1.27 -2.879 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.23 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.1 mmp_? -139.69 112.29 7.84 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -96.07 99.48 11.23 Favored 'General case' 0 N--CA 1.41 -2.441 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.649 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.3 pt -90.24 120.22 38.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.878 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.6 m -110.0 118.49 36.56 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.632 0 C-N-CA 119.705 -1.236 . . . . 0.0 111.807 -176.363 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 tt . . . . . 0 N--CA 1.438 -1.062 0 CA-C-O 120.902 0.382 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 36.3 m -121.83 147.43 45.97 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.201 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -130.73 124.17 30.89 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.192 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 66.6 m -95.81 102.61 14.43 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 121.56 0.695 . . . . 0.0 110.038 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.95 133.18 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.58 153.38 46.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.89 -104.36 2.67 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -92.41 -53.16 4.33 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.73 -11.33 1.8 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.5 147.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.15 159.4 42.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -152.39 111.5 3.85 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.116 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -89.3 99.44 12.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 174.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tt -97.83 119.87 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.652 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.215 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.6 m -93.74 123.71 37.26 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.105 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.992 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -179.455 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.2 mt . . . . . 0 C--O 1.247 0.932 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 m -118.91 146.33 45.02 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -110.67 110.83 21.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.72 102.85 15.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-O 121.593 0.711 . . . . 0.0 112.026 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -91.21 131.51 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.755 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -121.86 142.16 50.53 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 120.681 0.277 . . . . 0.0 110.496 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.01 -112.4 3.59 Favored Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 28.8 ptt-85 -71.11 -43.04 68.45 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 3.4 mmp_? -159.96 -37.56 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.747 0.819 . . . . 0.0 111.436 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.75 143.66 13.14 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.7 m -121.43 156.2 33.22 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.395 0.617 . . . . 0.0 110.891 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -127.86 104.72 7.98 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 114.135 -1.393 . . . . 0.0 108.087 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.9 m -92.22 102.55 15.06 Favored 'General case' 0 N--CA 1.416 -2.129 0 CA-C-O 121.384 0.612 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 tp -88.18 124.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.743 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -101.48 126.97 48.34 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.406 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.87 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.239 -177.672 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.3 mt . . . . . 0 N--CA 1.423 -1.8 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 7.1 m -123.41 137.88 54.72 Favored 'General case' 0 N--CA 1.415 -2.22 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.974 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -83.58 103.9 13.28 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.271 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.2 m -96.7 123.3 40.35 Favored 'General case' 0 N--CA 1.41 -2.449 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.767 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 pt -126.64 138.23 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.6 m -102.99 145.16 30.29 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.084 0.469 . . . . 0.0 112.025 -175.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -116.09 2.61 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.23 -37.15 14.32 Favored 'General case' 0 C--N 1.288 -2.088 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.93 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -137.15 -55.03 0.71 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.266 1.032 . . . . 0.0 109.804 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.5 154.48 4.69 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.206 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 20.6 m -126.05 152.01 46.37 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 ttp180 -117.15 115.98 26.4 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.79 99.9 9.48 Favored 'General case' 0 N--CA 1.418 -2.036 0 O-C-N 123.731 0.644 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.38 117.21 31.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m -85.13 135.38 34.0 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.84 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.013 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.5 mm . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 12.5 m -121.69 145.71 47.75 Favored 'General case' 0 C--N 1.286 -2.195 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 mtt180 -108.5 115.71 30.61 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m -97.97 100.26 11.59 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.025 0.441 . . . . 0.0 111.793 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 pt -98.86 129.51 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.474 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -117.13 155.17 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.03 -113.15 1.95 Allowed Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 10' ' ' ARG . 2.3 ptm180 -69.85 -60.41 2.32 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.275 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.414 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 37.5 mmt180 -146.88 4.67 0.86 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.6 mt -124.65 149.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -125.5 159.82 31.04 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-O 121.33 0.586 . . . . 0.0 109.525 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -134.96 101.83 5.02 Favored 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 81.8 m -93.32 105.26 17.35 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -99.47 125.72 52.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 68.1 m -94.84 123.48 38.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.59 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -177.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt . . . . . 0 N--CA 1.432 -1.371 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 23.0 m -110.14 144.52 38.64 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 121.489 0.661 . . . . 0.0 110.504 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -114.52 114.98 26.49 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.642 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.8 m -89.58 99.23 12.28 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 121.736 0.779 . . . . 0.0 110.598 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 pt -97.55 140.25 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.833 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -118.26 144.66 45.62 Favored 'General case' 0 C--N 1.282 -2.342 0 CA-C-O 120.904 0.383 . . . . 0.0 111.396 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -104.96 1.77 Allowed Glycine 0 N--CA 1.427 -1.942 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -94.69 -55.62 3.06 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -138.33 -2.4 1.82 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -116.59 151.75 18.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.7 m -129.93 157.54 42.0 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.266 0.555 . . . . 0.0 110.37 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -134.61 123.68 24.18 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -91.49 99.28 12.24 Favored 'General case' 0 N--CA 1.408 -2.537 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.3 tt -95.49 116.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.839 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.021 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m -81.39 135.33 35.66 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.118 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.604 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.195 -177.044 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 N--CA 1.429 -1.49 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.7 m -129.64 150.82 50.8 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.568 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -109.81 109.48 20.16 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.0 m -108.32 112.38 24.8 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -92.18 144.96 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.737 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.5 147.32 49.85 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.518 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.54 3.5 Favored Glycine 0 CA--C 1.493 -1.301 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -73.08 -31.9 64.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 123.802 0.354 . . . . 0.0 110.525 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -172.52 -39.56 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.224 0 CA-C-O 121.675 0.75 . . . . 0.0 109.402 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -72.12 144.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.242 0 CA-C-N 114.476 -1.238 . . . . 0.0 107.866 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.69 160.08 24.03 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.74 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -129.02 108.61 10.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.8 m -102.45 124.5 48.12 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.789 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 tt -108.55 132.73 55.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 172.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.9 m -116.7 147.88 41.58 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.845 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.591 0 N-CA-C 107.387 -2.285 . . . . 0.0 107.387 173.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.429 -1.49 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.6 m -119.7 148.92 42.81 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.391 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -132.07 122.03 24.78 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.925 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.0 m -99.46 117.56 34.14 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-O 121.169 0.509 . . . . 0.0 110.559 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -112.06 146.73 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.04 142.32 51.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 120.983 0.42 . . . . 0.0 111.558 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.73 -110.69 3.45 Favored Glycine 0 N--CA 1.427 -1.921 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.464 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 123.319 0.648 . . . . 0.0 109.7 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -172.64 -38.36 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.707 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 11' ' ' ILE . 3.0 mp -74.16 151.05 7.24 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-N 114.118 -1.401 . . . . 0.0 107.563 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -126.73 159.44 33.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.859 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -134.59 119.38 18.31 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.1 m -98.46 100.65 11.93 Favored 'General case' 0 N--CA 1.415 -2.182 0 CA-C-O 121.27 0.557 . . . . 0.0 110.187 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.73 145.31 8.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.9 m -130.93 147.95 52.64 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.755 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.551 179.557 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mm . . . . . 0 C--O 1.246 0.914 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.9 m -109.45 149.04 30.15 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -156.38 142.43 18.1 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -101.83 102.21 12.78 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.377 0.608 . . . . 0.0 109.504 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -82.04 124.47 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.912 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.8 m -113.18 146.96 38.38 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.948 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.14 -104.99 2.99 Favored Glycine 0 N--CA 1.425 -2.07 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -88.45 -63.83 1.24 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -129.4 -15.37 4.09 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 mm -95.21 148.17 5.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -137.11 156.32 48.51 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -133.05 113.71 13.1 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.244 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.6 m -87.86 99.81 12.4 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.2 pt -109.09 154.5 10.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.403 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.4 m -120.04 115.21 23.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.679 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.943 -174.134 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.9 m -126.02 148.75 49.22 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 175.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -124.79 114.45 19.26 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 55.7 m -102.04 117.16 34.22 Favored 'General case' 0 N--CA 1.409 -2.48 0 CA-C-O 121.428 0.632 . . . . 0.0 111.454 -175.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 pt -91.92 136.17 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 173.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.01 149.6 45.86 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.92 -114.02 3.7 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -79.4 -63.29 1.45 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -141.63 5.67 1.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.869 0.366 . . . . 0.0 111.874 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -115.19 149.37 17.43 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.3 m -131.84 165.43 23.85 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.2 0.524 . . . . 0.0 110.831 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 71.7 mtp180 -123.83 111.69 16.41 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -95.37 109.82 21.93 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.407 0.622 . . . . 0.0 111.128 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.8 mm -93.2 115.04 31.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.3 m -106.78 146.73 30.52 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.161 -177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.13 178.11 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.424 -1.733 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.5 m -102.26 154.14 19.32 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.13 0.49 . . . . 0.0 110.249 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -129.8 109.45 10.95 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.39 99.29 11.52 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.1 pt -89.29 147.44 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.245 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.188 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -137.63 135.8 36.91 Favored 'General case' 0 C--N 1.278 -2.523 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -116.78 3.44 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -110.6 -14.07 14.12 Favored 'General case' 0 N--CA 1.416 -2.141 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.964 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 11' ' ' ILE . 15.8 ptt180 -149.92 -4.34 0.37 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.507 HG13 ' HG3' ' A' ' 10' ' ' ARG . 19.6 mt -128.02 154.9 39.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 71.1 m -136.16 162.95 31.52 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -162.22 123.04 2.57 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.0 m -93.64 100.68 12.88 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-O 121.822 0.82 . . . . 0.0 110.499 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.9 127.77 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.42 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -123.01 121.27 35.67 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.066 0 C-N-CA 119.698 -1.239 . . . . 0.0 113.345 -179.026 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.242 0.682 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -135.03 150.39 50.29 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.439 1.095 . . . . 0.0 108.998 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -142.31 133.68 26.4 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.239 0.616 . . . . 0.0 109.604 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.3 m -99.07 103.64 15.58 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.844 0.83 . . . . 0.0 109.934 177.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 32.6 pt -101.44 141.73 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.094 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.822 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -126.56 137.79 53.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.04 -119.13 3.95 Favored Glycine 0 C--N 1.299 -1.515 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -89.01 -15.4 34.21 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.748 0.308 . . . . 0.0 111.209 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -163.26 -39.0 0.03 OUTLIER 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.78 0.8 . . . . 0.0 111.905 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.5 mt -81.85 148.81 5.1 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.682 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 67.0 m -137.14 157.91 45.61 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -163.4 132.85 4.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.6 m -93.32 99.19 11.77 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.6 pt -83.47 142.19 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.837 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.3 m -136.08 136.94 40.58 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.569 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.528 0 N-CA-C 107.246 -2.342 . . . . 0.0 107.246 171.583 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 52.3 mt . . . . . 0 N--CA 1.434 -1.247 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.1 m -127.0 154.56 44.46 Favored 'General case' 0 C--N 1.272 -2.773 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.956 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.96 129.47 22.6 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.378 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.0 m -103.38 115.49 30.65 Favored 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.644 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pp -104.67 148.17 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.184 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -125.5 162.28 25.25 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.143 0.497 . . . . 0.0 112.054 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.0 -114.91 3.9 Favored Glycine 0 N--CA 1.419 -2.455 0 N-CA-C 106.213 -2.755 . . . . 0.0 106.213 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -99.84 -44.87 5.91 Favored 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.843 172.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -123.69 -29.02 3.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.96 145.57 9.96 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.09 156.81 43.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.05 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -135.26 118.58 16.71 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.267 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -100.42 107.86 19.71 Favored 'General case' 0 N--CA 1.419 -1.986 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.349 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 pt -101.84 148.09 7.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.16 144.86 50.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.512 0 N-CA-C 107.847 -2.101 . . . . 0.0 107.847 173.669 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.442 -0.857 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 64.4 m -127.13 141.51 51.74 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 177.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -137.34 125.39 22.88 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 123.282 0.633 . . . . 0.0 109.474 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.6 m -93.7 101.14 13.26 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-O 121.408 0.623 . . . . 0.0 109.622 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.5 mt -82.91 134.96 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.069 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.5 m -131.24 144.02 51.0 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.231 0.539 . . . . 0.0 111.454 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.24 -132.51 7.65 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -79.98 -33.7 39.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 117.413 0.606 . . . . 0.0 110.692 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -149.82 -1.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -109.31 146.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 75.8 m -142.33 159.4 42.32 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -165.41 135.17 3.54 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 123.957 0.785 . . . . 0.0 109.144 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.4 m -102.26 111.74 24.15 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-O 121.218 0.533 . . . . 0.0 110.691 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 3.0 mp -97.31 129.91 46.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.89 116.57 28.76 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.502 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.433 -176.907 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.3 m -118.39 151.97 36.74 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.239 0.543 . . . . 0.0 111.137 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -125.32 120.89 32.42 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.6 m -118.18 120.82 38.87 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.184 0.516 . . . . 0.0 112.171 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 pt -100.91 137.27 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 173.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.6 m -144.39 148.78 35.1 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-O 120.847 0.355 . . . . 0.0 110.752 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.04 -124.06 4.43 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 106.99 -2.444 . . . . 0.0 106.99 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -114.02 4.34 15.66 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 117.609 0.705 . . . . 0.0 110.096 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -143.1 -61.72 0.42 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.576 0.703 . . . . 0.0 111.233 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 mt -91.07 149.75 3.97 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.948 -174.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.9 m -137.41 166.61 23.41 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.352 0.596 . . . . 0.0 111.42 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -145.99 114.37 6.7 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 125.355 1.462 . . . . 0.0 108.16 175.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.8 m -110.61 111.78 23.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mm -102.14 118.47 49.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 94.3 m -97.59 131.21 44.39 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.424 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.845 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.211 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 20.0 mt . . . . . 0 N--CA 1.431 -1.385 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 51.2 m -109.1 154.26 22.53 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.356 0.598 . . . . 0.0 109.887 175.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -123.89 119.83 30.79 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.0 m -94.95 99.9 11.85 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-O 121.54 0.686 . . . . 0.0 110.353 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 pt -102.36 152.87 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.791 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.708 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.59 146.78 50.75 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.006 0.431 . . . . 0.0 111.016 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.94 -107.63 2.47 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -80.26 -60.28 2.39 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -144.57 -0.39 0.95 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.151 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.75 144.95 14.98 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.3 m -126.25 162.3 25.76 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 123.402 0.439 . . . . 0.0 109.979 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -151.88 132.33 13.8 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.56 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.8 m -100.45 109.21 21.34 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.128 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 8.1 tt -102.96 126.74 57.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 2' ' ' ILE . 2.3 m -99.24 134.98 41.31 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 122.696 0.398 . . . . 0.0 111.433 176.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.02 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 176.825 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--O 1.248 0.986 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.0 m -91.42 143.9 26.14 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -121.37 126.5 49.56 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.491 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -94.4 107.51 19.47 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.737 0.779 . . . . 0.0 110.641 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.7 mm -87.71 133.71 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.255 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -119.19 138.99 52.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.56 -107.32 2.93 Favored Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -99.53 -62.16 1.27 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 120.87 0.366 . . . . 0.0 110.351 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -125.43 -5.27 7.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mt -116.14 149.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -132.27 168.56 17.85 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -159.6 135.76 8.87 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.4 m -95.36 109.35 21.52 Favored 'General case' 0 C--N 1.287 -2.136 0 CA-C-O 122.09 0.948 . . . . 0.0 110.829 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.3 129.38 43.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.631 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -118.59 154.13 33.12 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.884 0 C-N-CA 119.132 -1.508 . . . . 0.0 113.057 178.815 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.433 -1.291 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.5 m -113.1 147.36 37.47 Favored 'General case' 0 N--CA 1.42 -1.951 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.5 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.2 101.78 10.51 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -95.29 101.36 13.09 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.819 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.4 mm -78.19 112.07 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.913 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.3 m -126.73 143.96 51.08 Favored 'General case' 0 C--N 1.274 -2.699 0 O-C-N 123.759 0.662 . . . . 0.0 111.484 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.44 -134.91 5.87 Favored Glycine 0 N--CA 1.413 -2.855 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -79.78 -44.67 20.23 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 117.317 0.559 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.24 -16.86 4.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 112.047 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -104.2 145.49 12.89 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 93.1 m -143.2 162.96 34.22 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 123.948 0.899 . . . . 0.0 109.941 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -155.19 107.2 2.67 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.9 m -95.1 110.46 22.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 120.983 0.421 . . . . 0.0 112.129 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.43 118.41 46.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -94.89 117.54 30.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.177 0.513 . . . . 0.0 111.447 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.211 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.708 -175.761 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.427 -1.576 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.4 m -95.56 139.49 31.75 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -101.94 110.54 22.54 Favored 'General case' 0 C--N 1.264 -3.123 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.9 102.05 14.33 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-O 121.644 0.735 . . . . 0.0 110.584 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.1 pt -97.6 132.25 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.847 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.075 0.464 . . . . 0.0 112.043 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.87 -97.22 2.5 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -78.65 -78.76 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -136.36 -1.69 2.31 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.726 173.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.79 145.66 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -124.13 157.21 35.18 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-O 121.535 0.683 . . . . 0.0 109.833 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -119.68 107.03 12.73 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.39 99.57 12.3 Favored 'General case' 0 N--CA 1.411 -2.395 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 pt -101.05 115.98 43.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.504 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.8 m -86.82 163.89 16.97 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.041 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.553 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.664 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 C--O 1.249 1.057 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -109.22 150.06 28.48 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -124.4 120.09 31.1 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.6 m -91.39 100.6 13.35 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-O 121.345 0.593 . . . . 0.0 111.012 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.1 pt -109.4 151.11 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.776 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.825 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.7 m -130.8 143.78 50.98 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.259 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.37 -95.57 1.5 Allowed Glycine 0 CA--C 1.489 -1.558 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.24 -76.2 0.45 Allowed 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -125.95 -0.07 7.26 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 111.702 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 mt -89.21 141.96 13.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -139.92 159.0 43.16 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -160.66 129.26 4.67 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.621 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.1 m -91.53 99.54 12.46 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.74 132.69 32.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.038 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -115.1 175.33 5.55 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.87 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.392 178.217 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 114.695 0.638 . . . . 0.0 114.695 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -130.88 151.41 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.1 m -118.93 153.23 34.94 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.761 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -125.62 99.89 6.2 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.4 m -82.6 104.82 13.15 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.66 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.9 mt -95.49 123.2 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.003 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.89 150.03 45.13 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 120.815 0.341 . . . . 0.0 111.754 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.12 -103.47 2.86 Favored Glycine 0 N--CA 1.425 -2.073 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -84.89 -68.43 0.72 Allowed 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -132.91 -11.28 2.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mm -86.71 139.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 62.4 m -140.43 158.82 43.43 Favored 'General case' 0 C--N 1.27 -2.879 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.23 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.1 mmp_? -139.69 112.29 7.84 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -96.07 99.48 11.23 Favored 'General case' 0 N--CA 1.41 -2.441 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.649 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.3 pt -90.24 120.22 38.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.878 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.6 m -110.0 118.49 36.56 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.68 -70.81 0.78 Allowed Glycine 0 N--CA 1.432 -1.632 0 C-N-CA 119.705 -1.236 . . . . 0.0 111.807 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--N 1.304 -1.386 0 CA-C-O 120.775 0.321 . . . . 0.0 111.293 -179.883 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.918 0 N-CA-C 112.829 -0.108 . . . . 0.0 112.829 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 tt -134.03 152.91 35.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 O-C-N 122.444 -0.445 . . . . 0.0 110.688 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 36.3 m -121.83 147.43 45.97 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.201 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -130.73 124.17 30.89 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.192 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 66.6 m -95.81 102.61 14.43 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 121.56 0.695 . . . . 0.0 110.038 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.95 133.18 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.58 153.38 46.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.89 -104.36 2.67 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -92.41 -53.16 4.33 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.73 -11.33 1.8 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.5 147.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.15 159.4 42.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -152.39 111.5 3.85 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.116 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -89.3 99.44 12.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 174.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tt -97.83 119.87 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.652 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.215 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.6 m -93.74 123.71 37.26 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.105 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.21 -91.57 1.64 Allowed Glycine 0 N--CA 1.426 -1.992 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 . . . . . 0 C--N 1.294 -1.83 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.609 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 112.932 -0.067 . . . . 0.0 112.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.2 mt -121.37 145.85 27.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 m -118.91 146.33 45.02 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -110.67 110.83 21.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.72 102.85 15.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-O 121.593 0.711 . . . . 0.0 112.026 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -91.21 131.51 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.755 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -121.86 142.16 50.53 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 120.681 0.277 . . . . 0.0 110.496 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.01 -112.4 3.59 Favored Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 28.8 ptt-85 -71.11 -43.04 68.45 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 3.4 mmp_? -159.96 -37.56 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.747 0.819 . . . . 0.0 111.436 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.75 143.66 13.14 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.7 m -121.43 156.2 33.22 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.395 0.617 . . . . 0.0 110.891 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -127.86 104.72 7.98 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 114.135 -1.393 . . . . 0.0 108.087 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.9 m -92.22 102.55 15.06 Favored 'General case' 0 N--CA 1.416 -2.129 0 CA-C-O 121.384 0.612 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 tp -88.18 124.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.743 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -101.48 126.97 48.34 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.406 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.31 -64.64 1.07 Allowed Glycine 0 N--CA 1.428 -1.87 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.239 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 . . . . . 0 N--CA 1.431 -1.42 0 CA-C-O 121.59 0.71 . . . . 0.0 109.148 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.875 0 CA-C-O 120.771 0.095 . . . . 0.0 113.201 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.3 mt -118.29 151.38 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.8 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 7.1 m -123.41 137.88 54.72 Favored 'General case' 0 N--CA 1.415 -2.22 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.974 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -83.58 103.9 13.28 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.271 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.2 m -96.7 123.3 40.35 Favored 'General case' 0 N--CA 1.41 -2.449 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.767 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 pt -126.64 138.23 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.6 m -102.99 145.16 30.29 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.084 0.469 . . . . 0.0 112.025 -175.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -116.09 2.61 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.23 -37.15 14.32 Favored 'General case' 0 C--N 1.288 -2.088 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.93 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -137.15 -55.03 0.71 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.266 1.032 . . . . 0.0 109.804 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.5 154.48 4.69 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.206 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 20.6 m -126.05 152.01 46.37 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 ttp180 -117.15 115.98 26.4 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.79 99.9 9.48 Favored 'General case' 0 N--CA 1.418 -2.036 0 O-C-N 123.731 0.644 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.38 117.21 31.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m -85.13 135.38 34.0 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.44 -91.81 2.12 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 31.9 mmt180 . . . . . 0 C--N 1.3 -1.553 0 CA-C-O 121.364 0.602 . . . . 0.0 110.056 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.938 0.188 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.5 mm -116.71 145.57 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 12.5 m -121.69 145.71 47.75 Favored 'General case' 0 C--N 1.286 -2.195 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 mtt180 -108.5 115.71 30.61 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m -97.97 100.26 11.59 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.025 0.441 . . . . 0.0 111.793 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 pt -98.86 129.51 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.474 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -117.13 155.17 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.03 -113.15 1.95 Allowed Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 10' ' ' ARG . 2.3 ptm180 -69.85 -60.41 2.32 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.275 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 37.5 mmt180 -146.88 4.67 0.86 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.6 mt -124.65 149.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -125.5 159.82 31.04 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-O 121.33 0.586 . . . . 0.0 109.525 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -134.96 101.83 5.02 Favored 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 81.8 m -93.32 105.26 17.35 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -99.47 125.72 52.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 68.1 m -94.84 123.48 38.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 -72.64 1.26 Allowed Glycine 0 CA--C 1.489 -1.59 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 . . . . . 0 C--N 1.295 -1.792 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 176.175 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.296 0 N-CA-C 113.717 0.247 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt -126.63 159.96 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.371 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 23.0 m -110.14 144.52 38.64 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 121.489 0.661 . . . . 0.0 110.504 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -114.52 114.98 26.49 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.642 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.8 m -89.58 99.23 12.28 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 121.736 0.779 . . . . 0.0 110.598 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 pt -97.55 140.25 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.833 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -118.26 144.66 45.62 Favored 'General case' 0 C--N 1.282 -2.342 0 CA-C-O 120.904 0.383 . . . . 0.0 111.396 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -104.96 1.77 Allowed Glycine 0 N--CA 1.427 -1.942 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -94.69 -55.62 3.06 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -138.33 -2.4 1.82 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -116.59 151.75 18.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.7 m -129.93 157.54 42.0 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.266 0.555 . . . . 0.0 110.37 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -134.61 123.68 24.18 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -91.49 99.28 12.24 Favored 'General case' 0 N--CA 1.408 -2.537 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.3 tt -95.49 116.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.839 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.021 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m -81.39 135.33 35.66 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.118 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.66 -85.85 1.03 Allowed Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.195 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 . . . . . 0 N--CA 1.428 -1.547 0 CA-C-O 121.045 0.45 . . . . 0.0 110.082 179.079 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 113.728 0.251 . . . . 0.0 113.728 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -137.44 151.39 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.7 m -129.64 150.82 50.8 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.568 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -109.81 109.48 20.16 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.0 m -108.32 112.38 24.8 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -92.18 144.96 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.737 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.5 147.32 49.85 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.518 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.54 3.5 Favored Glycine 0 CA--C 1.493 -1.301 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -73.08 -31.9 64.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 123.802 0.354 . . . . 0.0 110.525 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -172.52 -39.56 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.224 0 CA-C-O 121.675 0.75 . . . . 0.0 109.402 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -72.12 144.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.242 0 CA-C-N 114.476 -1.238 . . . . 0.0 107.866 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.69 160.08 24.03 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.74 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -129.02 108.61 10.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.8 m -102.45 124.5 48.12 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.789 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 tt -108.55 132.73 55.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 172.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.9 m -116.7 147.88 41.58 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.845 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.85 -86.64 1.93 Allowed Glycine 0 CA--C 1.489 -1.591 0 N-CA-C 107.387 -2.285 . . . . 0.0 107.387 173.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 . . . . . 0 C--N 1.3 -1.581 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 172.468 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.949 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -88.57 138.57 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.6 m -119.7 148.92 42.81 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.391 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -132.07 122.03 24.78 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.925 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.0 m -99.46 117.56 34.14 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-O 121.169 0.509 . . . . 0.0 110.559 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -112.06 146.73 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.04 142.32 51.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 120.983 0.42 . . . . 0.0 111.558 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.73 -110.69 3.45 Favored Glycine 0 N--CA 1.427 -1.921 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.464 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 123.319 0.648 . . . . 0.0 109.7 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -172.64 -38.36 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.707 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 11' ' ' ILE . 3.0 mp -74.16 151.05 7.24 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-N 114.118 -1.401 . . . . 0.0 107.563 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -126.73 159.44 33.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.859 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -134.59 119.38 18.31 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.1 m -98.46 100.65 11.93 Favored 'General case' 0 N--CA 1.415 -2.182 0 CA-C-O 121.27 0.557 . . . . 0.0 110.187 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.73 145.31 8.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.9 m -130.93 147.95 52.64 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.67 -77.66 0.17 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.551 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? . . . . . 0 C--N 1.312 -1.053 0 CA-C-O 121.18 0.514 . . . . 0.0 110.13 -178.886 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.92 139.16 51.83 Favored 'Isoleucine or valine' 0 C--O 1.246 0.914 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.9 m -109.45 149.04 30.15 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -156.38 142.43 18.1 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -101.83 102.21 12.78 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.377 0.608 . . . . 0.0 109.504 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -82.04 124.47 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.912 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.8 m -113.18 146.96 38.38 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.948 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.14 -104.99 2.99 Favored Glycine 0 N--CA 1.425 -2.07 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -88.45 -63.83 1.24 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -129.4 -15.37 4.09 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 mm -95.21 148.17 5.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -137.11 156.32 48.51 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -133.05 113.71 13.1 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.244 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.6 m -87.86 99.81 12.4 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.2 pt -109.09 154.5 10.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.403 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.4 m -120.04 115.21 23.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.15 -85.19 1.43 Allowed Glycine 0 N--CA 1.431 -1.679 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.943 -174.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 C--N 1.307 -1.242 0 CA-C-O 121.503 0.668 . . . . 0.0 111.086 -178.409 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.358 0 N-CA-C 114.026 0.37 . . . . 0.0 114.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.7 mm -114.51 147.1 18.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.9 m -126.02 148.75 49.22 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 175.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -124.79 114.45 19.26 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 55.7 m -102.04 117.16 34.22 Favored 'General case' 0 N--CA 1.409 -2.48 0 CA-C-O 121.428 0.632 . . . . 0.0 111.454 -175.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 pt -91.92 136.17 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 173.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.01 149.6 45.86 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.92 -114.02 3.7 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -79.4 -63.29 1.45 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -141.63 5.67 1.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.869 0.366 . . . . 0.0 111.874 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -115.19 149.37 17.43 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.3 m -131.84 165.43 23.85 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.2 0.524 . . . . 0.0 110.831 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 71.7 mtp180 -123.83 111.69 16.41 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -95.37 109.82 21.93 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.407 0.622 . . . . 0.0 111.128 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.8 mm -93.2 115.04 31.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.3 m -106.78 146.73 30.52 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.161 -177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.36 -82.2 0.38 Allowed Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.13 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.309 -1.163 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.831 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mt -135.64 144.1 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.733 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.5 m -102.26 154.14 19.32 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.13 0.49 . . . . 0.0 110.249 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -129.8 109.45 10.95 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.39 99.29 11.52 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.1 pt -89.29 147.44 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.245 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.188 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -137.63 135.8 36.91 Favored 'General case' 0 C--N 1.278 -2.523 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -116.78 3.44 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -110.6 -14.07 14.12 Favored 'General case' 0 N--CA 1.416 -2.141 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.964 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 11' ' ' ILE . 15.8 ptt180 -149.92 -4.34 0.37 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.507 HG13 ' HG3' ' A' ' 10' ' ' ARG . 19.6 mt -128.02 154.9 39.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 71.1 m -136.16 162.95 31.52 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -162.22 123.04 2.57 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.0 m -93.64 100.68 12.88 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-O 121.822 0.82 . . . . 0.0 110.499 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.9 127.77 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.42 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -123.01 121.27 35.67 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.1 -59.13 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 119.698 -1.239 . . . . 0.0 113.345 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 . . . . . 0 C--N 1.31 -1.131 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -175.378 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.274 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.9 144.35 28.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 O-C-N 122.294 -0.533 . . . . 0.0 109.911 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -135.03 150.39 50.29 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.439 1.095 . . . . 0.0 108.998 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -142.31 133.68 26.4 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.239 0.616 . . . . 0.0 109.604 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.3 m -99.07 103.64 15.58 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.844 0.83 . . . . 0.0 109.934 177.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 32.6 pt -101.44 141.73 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.094 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.822 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -126.56 137.79 53.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.04 -119.13 3.95 Favored Glycine 0 C--N 1.299 -1.515 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -89.01 -15.4 34.21 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.748 0.308 . . . . 0.0 111.209 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -163.26 -39.0 0.03 OUTLIER 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.78 0.8 . . . . 0.0 111.905 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.5 mt -81.85 148.81 5.1 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.682 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 67.0 m -137.14 157.91 45.61 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -163.4 132.85 4.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.6 m -93.32 99.19 11.77 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.6 pt -83.47 142.19 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.837 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.3 m -136.08 136.94 40.58 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.569 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.25 -123.27 4.74 Favored Glycine 0 N--CA 1.418 -2.528 0 N-CA-C 107.246 -2.342 . . . . 0.0 107.246 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--N 1.287 -2.132 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 174.51 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.526 0 CA-C-O 120.844 0.136 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 52.3 mt -96.14 134.53 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.247 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.1 m -127.0 154.56 44.46 Favored 'General case' 0 C--N 1.272 -2.773 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.956 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.96 129.47 22.6 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.378 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.0 m -103.38 115.49 30.65 Favored 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.644 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pp -104.67 148.17 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.184 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -125.5 162.28 25.25 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.143 0.497 . . . . 0.0 112.054 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.0 -114.91 3.9 Favored Glycine 0 N--CA 1.419 -2.455 0 N-CA-C 106.213 -2.755 . . . . 0.0 106.213 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -99.84 -44.87 5.91 Favored 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.843 172.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -123.69 -29.02 3.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.96 145.57 9.96 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.09 156.81 43.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.05 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -135.26 118.58 16.71 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.267 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -100.42 107.86 19.71 Favored 'General case' 0 N--CA 1.419 -1.986 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.349 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 pt -101.84 148.09 7.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.16 144.86 50.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.5 -127.13 6.0 Favored Glycine 0 N--CA 1.418 -2.512 0 N-CA-C 107.847 -2.101 . . . . 0.0 107.847 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 34.4 mmt180 . . . . . 0 C--N 1.292 -1.909 0 CA-C-N 117.78 0.79 . . . . 0.0 110.692 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.844 0.135 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -114.34 144.79 21.16 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 64.4 m -127.13 141.51 51.74 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 177.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -137.34 125.39 22.88 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 123.282 0.633 . . . . 0.0 109.474 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.6 m -93.7 101.14 13.26 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-O 121.408 0.623 . . . . 0.0 109.622 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.5 mt -82.91 134.96 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.069 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.5 m -131.24 144.02 51.0 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.231 0.539 . . . . 0.0 111.454 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.24 -132.51 7.65 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -79.98 -33.7 39.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 117.413 0.606 . . . . 0.0 110.692 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -149.82 -1.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -109.31 146.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 75.8 m -142.33 159.4 42.32 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -165.41 135.17 3.54 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 123.957 0.785 . . . . 0.0 109.144 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.4 m -102.26 111.74 24.15 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-O 121.218 0.533 . . . . 0.0 110.691 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 3.0 mp -97.31 129.91 46.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.89 116.57 28.76 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.77 -79.32 1.45 Allowed Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.433 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 C--N 1.293 -1.859 0 CA-C-O 121.731 0.777 . . . . 0.0 110.838 -178.753 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.928 0 CA-C-O 120.315 -0.158 . . . . 0.0 113.143 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.3 mt -125.51 145.82 32.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.3 m -118.39 151.97 36.74 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.239 0.543 . . . . 0.0 111.137 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -125.32 120.89 32.42 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.6 m -118.18 120.82 38.87 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.184 0.516 . . . . 0.0 112.171 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 pt -100.91 137.27 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 173.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.6 m -144.39 148.78 35.1 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-O 120.847 0.355 . . . . 0.0 110.752 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.04 -124.06 4.43 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 106.99 -2.444 . . . . 0.0 106.99 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -114.02 4.34 15.66 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 117.609 0.705 . . . . 0.0 110.096 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -143.1 -61.72 0.42 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.576 0.703 . . . . 0.0 111.233 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 mt -91.07 149.75 3.97 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.948 -174.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.9 m -137.41 166.61 23.41 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.352 0.596 . . . . 0.0 111.42 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -145.99 114.37 6.7 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 125.355 1.462 . . . . 0.0 108.16 175.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.8 m -110.61 111.78 23.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mm -102.14 118.47 49.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 94.3 m -97.59 131.21 44.39 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.424 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.47 -107.65 2.55 Favored Glycine 0 N--CA 1.428 -1.845 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.3 -1.56 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.483 0 CA-C-O 121.07 0.261 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 20.0 mt -104.09 141.62 19.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 -178.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 51.2 m -109.1 154.26 22.53 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.356 0.598 . . . . 0.0 109.887 175.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -123.89 119.83 30.79 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.0 m -94.95 99.9 11.85 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-O 121.54 0.686 . . . . 0.0 110.353 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 pt -102.36 152.87 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.791 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.708 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.59 146.78 50.75 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.006 0.431 . . . . 0.0 111.016 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.94 -107.63 2.47 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -80.26 -60.28 2.39 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -144.57 -0.39 0.95 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.151 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.75 144.95 14.98 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.3 m -126.25 162.3 25.76 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 123.402 0.439 . . . . 0.0 109.979 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -151.88 132.33 13.8 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.56 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.8 m -100.45 109.21 21.34 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.128 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 8.1 tt -102.96 126.74 57.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 2' ' ' ILE . 2.3 m -99.24 134.98 41.31 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 122.696 0.398 . . . . 0.0 111.433 176.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -109.64 -61.74 0.52 Allowed Glycine 0 N--CA 1.426 -2.02 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 . . . . . 0 C--N 1.311 -1.094 0 CA-C-O 121.026 0.441 . . . . 0.0 110.791 -178.057 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.589 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.9 mt -145.1 146.95 19.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.0 m -91.42 143.9 26.14 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -121.37 126.5 49.56 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.491 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -94.4 107.51 19.47 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.737 0.779 . . . . 0.0 110.641 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.7 mm -87.71 133.71 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.255 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -119.19 138.99 52.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.56 -107.32 2.93 Favored Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -99.53 -62.16 1.27 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 120.87 0.366 . . . . 0.0 110.351 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -125.43 -5.27 7.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mt -116.14 149.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -132.27 168.56 17.85 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -159.6 135.76 8.87 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.4 m -95.36 109.35 21.52 Favored 'General case' 0 C--N 1.287 -2.136 0 CA-C-O 122.09 0.948 . . . . 0.0 110.829 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.3 129.38 43.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.631 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -118.59 154.13 33.12 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.11 -32.37 0.66 Allowed Glycine 0 N--CA 1.428 -1.884 0 C-N-CA 119.132 -1.508 . . . . 0.0 113.057 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 . . . . . 0 C--N 1.315 -0.892 0 CA-C-O 121.32 0.581 . . . . 0.0 110.547 -176.609 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.483 0 CA-C-O 121.002 0.223 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.8 mm -122.06 149.79 25.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.5 m -113.1 147.36 37.47 Favored 'General case' 0 N--CA 1.42 -1.951 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.5 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.2 101.78 10.51 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -95.29 101.36 13.09 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.819 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.4 mm -78.19 112.07 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.913 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.3 m -126.73 143.96 51.08 Favored 'General case' 0 C--N 1.274 -2.699 0 O-C-N 123.759 0.662 . . . . 0.0 111.484 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.44 -134.91 5.87 Favored Glycine 0 N--CA 1.413 -2.855 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -79.78 -44.67 20.23 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 117.317 0.559 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.24 -16.86 4.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 112.047 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -104.2 145.49 12.89 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 93.1 m -143.2 162.96 34.22 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 123.948 0.899 . . . . 0.0 109.941 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -155.19 107.2 2.67 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.9 m -95.1 110.46 22.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 120.983 0.421 . . . . 0.0 112.129 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.43 118.41 46.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -94.89 117.54 30.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.177 0.513 . . . . 0.0 111.447 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.74 -110.44 3.02 Favored Glycine 0 N--CA 1.423 -2.211 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.708 -175.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 C--N 1.298 -1.648 0 CA-C-O 121.564 0.697 . . . . 0.0 111.841 -177.815 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.757 0 CA-C-O 121.035 0.241 . . . . 0.0 113.64 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -116.07 149.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.4 m -95.56 139.49 31.75 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -101.94 110.54 22.54 Favored 'General case' 0 C--N 1.264 -3.123 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.9 102.05 14.33 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-O 121.644 0.735 . . . . 0.0 110.584 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.1 pt -97.6 132.25 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.847 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.075 0.464 . . . . 0.0 112.043 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.87 -97.22 2.5 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -78.65 -78.76 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -136.36 -1.69 2.31 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.726 173.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.79 145.66 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -124.13 157.21 35.18 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-O 121.535 0.683 . . . . 0.0 109.833 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -119.68 107.03 12.73 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.39 99.57 12.3 Favored 'General case' 0 N--CA 1.411 -2.395 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 pt -101.05 115.98 43.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.504 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.8 m -86.82 163.89 16.97 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.041 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.78 -49.76 0.04 OUTLIER Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 . . . . . 0 C--N 1.311 -1.083 0 CA-C-O 121.052 0.453 . . . . 0.0 111.829 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.397 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.1 mt -157.7 153.31 6.46 Favored 'Isoleucine or valine' 0 C--O 1.249 1.057 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -109.22 150.06 28.48 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -124.4 120.09 31.1 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.6 m -91.39 100.6 13.35 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-O 121.345 0.593 . . . . 0.0 111.012 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.1 pt -109.4 151.11 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.776 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.825 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.7 m -130.8 143.78 50.98 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.259 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.37 -95.57 1.5 Allowed Glycine 0 CA--C 1.489 -1.558 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.24 -76.2 0.45 Allowed 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -125.95 -0.07 7.26 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 111.702 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 mt -89.21 141.96 13.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -139.92 159.0 43.16 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -160.66 129.26 4.67 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.621 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.1 m -91.53 99.54 12.46 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.74 132.69 32.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.038 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -115.1 175.33 5.55 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.23 19.13 5.98 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.392 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 . . . . . 0 C--N 1.321 -0.639 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.64 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 N--CA 1.428 -1.538 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.1 m -118.93 153.23 34.94 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.761 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -125.62 99.89 6.2 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.4 m -82.6 104.82 13.15 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.66 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.9 mt -95.49 123.2 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.003 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.89 150.03 45.13 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 120.815 0.341 . . . . 0.0 111.754 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.12 -103.47 2.86 Favored Glycine 0 N--CA 1.425 -2.073 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -84.89 -68.43 0.72 Allowed 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -132.91 -11.28 2.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mm -86.71 139.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 62.4 m -140.43 158.82 43.43 Favored 'General case' 0 C--N 1.27 -2.879 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.23 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.1 mmp_? -139.69 112.29 7.84 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -96.07 99.48 11.23 Favored 'General case' 0 N--CA 1.41 -2.441 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.649 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.3 pt -90.24 120.22 38.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.878 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.6 m -110.0 118.49 36.56 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.632 0 C-N-CA 119.705 -1.236 . . . . 0.0 111.807 -176.363 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 tt . . . . . 0 N--CA 1.438 -1.062 0 CA-C-O 120.902 0.382 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 36.3 m -121.83 147.43 45.97 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.201 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -130.73 124.17 30.89 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.192 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 66.6 m -95.81 102.61 14.43 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 121.56 0.695 . . . . 0.0 110.038 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.95 133.18 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.58 153.38 46.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.89 -104.36 2.67 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -92.41 -53.16 4.33 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.73 -11.33 1.8 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.5 147.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.15 159.4 42.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -152.39 111.5 3.85 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.116 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -89.3 99.44 12.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 174.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tt -97.83 119.87 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.652 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.215 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.6 m -93.74 123.71 37.26 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.105 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.992 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -179.455 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.2 mt . . . . . 0 C--O 1.247 0.932 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 m -118.91 146.33 45.02 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -110.67 110.83 21.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.72 102.85 15.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-O 121.593 0.711 . . . . 0.0 112.026 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -91.21 131.51 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.755 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -121.86 142.16 50.53 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 120.681 0.277 . . . . 0.0 110.496 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.01 -112.4 3.59 Favored Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 28.8 ptt-85 -71.11 -43.04 68.45 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 3.4 mmp_? -159.96 -37.56 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.747 0.819 . . . . 0.0 111.436 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.75 143.66 13.14 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.7 m -121.43 156.2 33.22 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.395 0.617 . . . . 0.0 110.891 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -127.86 104.72 7.98 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 114.135 -1.393 . . . . 0.0 108.087 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.9 m -92.22 102.55 15.06 Favored 'General case' 0 N--CA 1.416 -2.129 0 CA-C-O 121.384 0.612 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 tp -88.18 124.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.743 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -101.48 126.97 48.34 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.406 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.87 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.239 -177.672 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.3 mt . . . . . 0 N--CA 1.423 -1.8 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 7.1 m -123.41 137.88 54.72 Favored 'General case' 0 N--CA 1.415 -2.22 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.974 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -83.58 103.9 13.28 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.271 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.2 m -96.7 123.3 40.35 Favored 'General case' 0 N--CA 1.41 -2.449 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.767 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 pt -126.64 138.23 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.6 m -102.99 145.16 30.29 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.084 0.469 . . . . 0.0 112.025 -175.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -116.09 2.61 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.23 -37.15 14.32 Favored 'General case' 0 C--N 1.288 -2.088 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.93 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -137.15 -55.03 0.71 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.266 1.032 . . . . 0.0 109.804 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.5 154.48 4.69 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.206 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 20.6 m -126.05 152.01 46.37 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 ttp180 -117.15 115.98 26.4 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.79 99.9 9.48 Favored 'General case' 0 N--CA 1.418 -2.036 0 O-C-N 123.731 0.644 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.38 117.21 31.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m -85.13 135.38 34.0 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.84 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.013 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.5 mm . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 12.5 m -121.69 145.71 47.75 Favored 'General case' 0 C--N 1.286 -2.195 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 mtt180 -108.5 115.71 30.61 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m -97.97 100.26 11.59 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.025 0.441 . . . . 0.0 111.793 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 pt -98.86 129.51 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.474 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -117.13 155.17 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.03 -113.15 1.95 Allowed Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 10' ' ' ARG . 2.3 ptm180 -69.85 -60.41 2.32 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.275 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.414 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 37.5 mmt180 -146.88 4.67 0.86 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.6 mt -124.65 149.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -125.5 159.82 31.04 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-O 121.33 0.586 . . . . 0.0 109.525 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -134.96 101.83 5.02 Favored 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 81.8 m -93.32 105.26 17.35 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -99.47 125.72 52.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 68.1 m -94.84 123.48 38.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.59 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -177.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt . . . . . 0 N--CA 1.432 -1.371 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 23.0 m -110.14 144.52 38.64 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 121.489 0.661 . . . . 0.0 110.504 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -114.52 114.98 26.49 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.642 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.8 m -89.58 99.23 12.28 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 121.736 0.779 . . . . 0.0 110.598 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 pt -97.55 140.25 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.833 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -118.26 144.66 45.62 Favored 'General case' 0 C--N 1.282 -2.342 0 CA-C-O 120.904 0.383 . . . . 0.0 111.396 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -104.96 1.77 Allowed Glycine 0 N--CA 1.427 -1.942 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -94.69 -55.62 3.06 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -138.33 -2.4 1.82 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -116.59 151.75 18.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.7 m -129.93 157.54 42.0 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.266 0.555 . . . . 0.0 110.37 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -134.61 123.68 24.18 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -91.49 99.28 12.24 Favored 'General case' 0 N--CA 1.408 -2.537 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.3 tt -95.49 116.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.839 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.021 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m -81.39 135.33 35.66 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.118 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.604 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.195 -177.044 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 N--CA 1.429 -1.49 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.7 m -129.64 150.82 50.8 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.568 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -109.81 109.48 20.16 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.0 m -108.32 112.38 24.8 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -92.18 144.96 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.737 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.5 147.32 49.85 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.518 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.54 3.5 Favored Glycine 0 CA--C 1.493 -1.301 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -73.08 -31.9 64.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 123.802 0.354 . . . . 0.0 110.525 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -172.52 -39.56 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.224 0 CA-C-O 121.675 0.75 . . . . 0.0 109.402 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -72.12 144.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.242 0 CA-C-N 114.476 -1.238 . . . . 0.0 107.866 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.69 160.08 24.03 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.74 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -129.02 108.61 10.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.8 m -102.45 124.5 48.12 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.789 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 tt -108.55 132.73 55.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 172.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.9 m -116.7 147.88 41.58 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.845 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.591 0 N-CA-C 107.387 -2.285 . . . . 0.0 107.387 173.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.429 -1.49 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.6 m -119.7 148.92 42.81 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.391 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -132.07 122.03 24.78 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.925 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.0 m -99.46 117.56 34.14 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-O 121.169 0.509 . . . . 0.0 110.559 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -112.06 146.73 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.04 142.32 51.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 120.983 0.42 . . . . 0.0 111.558 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.73 -110.69 3.45 Favored Glycine 0 N--CA 1.427 -1.921 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.464 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 123.319 0.648 . . . . 0.0 109.7 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -172.64 -38.36 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.707 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 11' ' ' ILE . 3.0 mp -74.16 151.05 7.24 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-N 114.118 -1.401 . . . . 0.0 107.563 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -126.73 159.44 33.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.859 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -134.59 119.38 18.31 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.1 m -98.46 100.65 11.93 Favored 'General case' 0 N--CA 1.415 -2.182 0 CA-C-O 121.27 0.557 . . . . 0.0 110.187 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.73 145.31 8.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.9 m -130.93 147.95 52.64 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.755 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.551 179.557 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mm . . . . . 0 C--O 1.246 0.914 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.9 m -109.45 149.04 30.15 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -156.38 142.43 18.1 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -101.83 102.21 12.78 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.377 0.608 . . . . 0.0 109.504 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -82.04 124.47 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.912 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.8 m -113.18 146.96 38.38 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.948 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.14 -104.99 2.99 Favored Glycine 0 N--CA 1.425 -2.07 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -88.45 -63.83 1.24 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -129.4 -15.37 4.09 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 mm -95.21 148.17 5.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -137.11 156.32 48.51 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -133.05 113.71 13.1 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.244 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.6 m -87.86 99.81 12.4 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.2 pt -109.09 154.5 10.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.403 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.4 m -120.04 115.21 23.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.679 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.943 -174.134 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.9 m -126.02 148.75 49.22 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 175.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -124.79 114.45 19.26 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 55.7 m -102.04 117.16 34.22 Favored 'General case' 0 N--CA 1.409 -2.48 0 CA-C-O 121.428 0.632 . . . . 0.0 111.454 -175.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 pt -91.92 136.17 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 173.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.01 149.6 45.86 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.92 -114.02 3.7 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -79.4 -63.29 1.45 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -141.63 5.67 1.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.869 0.366 . . . . 0.0 111.874 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -115.19 149.37 17.43 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.3 m -131.84 165.43 23.85 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.2 0.524 . . . . 0.0 110.831 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 71.7 mtp180 -123.83 111.69 16.41 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -95.37 109.82 21.93 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.407 0.622 . . . . 0.0 111.128 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.8 mm -93.2 115.04 31.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.3 m -106.78 146.73 30.52 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.161 -177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.13 178.11 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.424 -1.733 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.5 m -102.26 154.14 19.32 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.13 0.49 . . . . 0.0 110.249 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -129.8 109.45 10.95 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.39 99.29 11.52 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.1 pt -89.29 147.44 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.245 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.188 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -137.63 135.8 36.91 Favored 'General case' 0 C--N 1.278 -2.523 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -116.78 3.44 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -110.6 -14.07 14.12 Favored 'General case' 0 N--CA 1.416 -2.141 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.964 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 11' ' ' ILE . 15.8 ptt180 -149.92 -4.34 0.37 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.507 HG13 ' HG3' ' A' ' 10' ' ' ARG . 19.6 mt -128.02 154.9 39.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 71.1 m -136.16 162.95 31.52 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -162.22 123.04 2.57 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.0 m -93.64 100.68 12.88 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-O 121.822 0.82 . . . . 0.0 110.499 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.9 127.77 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.42 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -123.01 121.27 35.67 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.066 0 C-N-CA 119.698 -1.239 . . . . 0.0 113.345 -179.026 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.242 0.682 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -135.03 150.39 50.29 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.439 1.095 . . . . 0.0 108.998 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -142.31 133.68 26.4 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.239 0.616 . . . . 0.0 109.604 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.3 m -99.07 103.64 15.58 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.844 0.83 . . . . 0.0 109.934 177.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 32.6 pt -101.44 141.73 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.094 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.822 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -126.56 137.79 53.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.04 -119.13 3.95 Favored Glycine 0 C--N 1.299 -1.515 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -89.01 -15.4 34.21 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.748 0.308 . . . . 0.0 111.209 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -163.26 -39.0 0.03 OUTLIER 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.78 0.8 . . . . 0.0 111.905 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.5 mt -81.85 148.81 5.1 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.682 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 67.0 m -137.14 157.91 45.61 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -163.4 132.85 4.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.6 m -93.32 99.19 11.77 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.6 pt -83.47 142.19 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.837 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.3 m -136.08 136.94 40.58 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.569 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.528 0 N-CA-C 107.246 -2.342 . . . . 0.0 107.246 171.583 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 52.3 mt . . . . . 0 N--CA 1.434 -1.247 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.1 m -127.0 154.56 44.46 Favored 'General case' 0 C--N 1.272 -2.773 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.956 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.96 129.47 22.6 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.378 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.0 m -103.38 115.49 30.65 Favored 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.644 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pp -104.67 148.17 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.184 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -125.5 162.28 25.25 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.143 0.497 . . . . 0.0 112.054 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.0 -114.91 3.9 Favored Glycine 0 N--CA 1.419 -2.455 0 N-CA-C 106.213 -2.755 . . . . 0.0 106.213 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -99.84 -44.87 5.91 Favored 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.843 172.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -123.69 -29.02 3.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.96 145.57 9.96 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.09 156.81 43.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.05 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -135.26 118.58 16.71 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.267 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -100.42 107.86 19.71 Favored 'General case' 0 N--CA 1.419 -1.986 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.349 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 pt -101.84 148.09 7.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.16 144.86 50.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.512 0 N-CA-C 107.847 -2.101 . . . . 0.0 107.847 173.669 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.442 -0.857 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 64.4 m -127.13 141.51 51.74 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 177.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -137.34 125.39 22.88 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 123.282 0.633 . . . . 0.0 109.474 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.6 m -93.7 101.14 13.26 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-O 121.408 0.623 . . . . 0.0 109.622 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.5 mt -82.91 134.96 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.069 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.5 m -131.24 144.02 51.0 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.231 0.539 . . . . 0.0 111.454 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.24 -132.51 7.65 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -79.98 -33.7 39.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 117.413 0.606 . . . . 0.0 110.692 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -149.82 -1.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -109.31 146.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 75.8 m -142.33 159.4 42.32 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -165.41 135.17 3.54 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 123.957 0.785 . . . . 0.0 109.144 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.4 m -102.26 111.74 24.15 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-O 121.218 0.533 . . . . 0.0 110.691 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 3.0 mp -97.31 129.91 46.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.89 116.57 28.76 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.502 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.433 -176.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.3 m -118.39 151.97 36.74 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.239 0.543 . . . . 0.0 111.137 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -125.32 120.89 32.42 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.6 m -118.18 120.82 38.87 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.184 0.516 . . . . 0.0 112.171 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 pt -100.91 137.27 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 173.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.6 m -144.39 148.78 35.1 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-O 120.847 0.355 . . . . 0.0 110.752 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.04 -124.06 4.43 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 106.99 -2.444 . . . . 0.0 106.99 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -114.02 4.34 15.66 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 117.609 0.705 . . . . 0.0 110.096 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -143.1 -61.72 0.42 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.576 0.703 . . . . 0.0 111.233 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 mt -91.07 149.75 3.97 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.948 -174.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.9 m -137.41 166.61 23.41 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.352 0.596 . . . . 0.0 111.42 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -145.99 114.37 6.7 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 125.355 1.462 . . . . 0.0 108.16 175.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.8 m -110.61 111.78 23.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mm -102.14 118.47 49.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 94.3 m -97.59 131.21 44.39 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.424 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.845 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.211 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 20.0 mt . . . . . 0 N--CA 1.431 -1.385 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 51.2 m -109.1 154.26 22.53 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.356 0.598 . . . . 0.0 109.887 175.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -123.89 119.83 30.79 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.0 m -94.95 99.9 11.85 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-O 121.54 0.686 . . . . 0.0 110.353 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 pt -102.36 152.87 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.791 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.708 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.59 146.78 50.75 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.006 0.431 . . . . 0.0 111.016 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.94 -107.63 2.47 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -80.26 -60.28 2.39 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -144.57 -0.39 0.95 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.151 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.75 144.95 14.98 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.3 m -126.25 162.3 25.76 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 123.402 0.439 . . . . 0.0 109.979 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -151.88 132.33 13.8 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.56 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.8 m -100.45 109.21 21.34 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.128 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 8.1 tt -102.96 126.74 57.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 2' ' ' ILE . 2.3 m -99.24 134.98 41.31 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 122.696 0.398 . . . . 0.0 111.433 176.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -2.02 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 176.825 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--O 1.248 0.986 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.0 m -91.42 143.9 26.14 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -121.37 126.5 49.56 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.491 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -94.4 107.51 19.47 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.737 0.779 . . . . 0.0 110.641 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.7 mm -87.71 133.71 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.255 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -119.19 138.99 52.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.56 -107.32 2.93 Favored Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -99.53 -62.16 1.27 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 120.87 0.366 . . . . 0.0 110.351 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -125.43 -5.27 7.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mt -116.14 149.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -132.27 168.56 17.85 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -159.6 135.76 8.87 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.4 m -95.36 109.35 21.52 Favored 'General case' 0 C--N 1.287 -2.136 0 CA-C-O 122.09 0.948 . . . . 0.0 110.829 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.3 129.38 43.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.631 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -118.59 154.13 33.12 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.884 0 C-N-CA 119.132 -1.508 . . . . 0.0 113.057 178.815 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.433 -1.291 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.5 m -113.1 147.36 37.47 Favored 'General case' 0 N--CA 1.42 -1.951 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.5 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.2 101.78 10.51 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -95.29 101.36 13.09 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.819 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.4 mm -78.19 112.07 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.913 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.3 m -126.73 143.96 51.08 Favored 'General case' 0 C--N 1.274 -2.699 0 O-C-N 123.759 0.662 . . . . 0.0 111.484 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.44 -134.91 5.87 Favored Glycine 0 N--CA 1.413 -2.855 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -79.78 -44.67 20.23 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 117.317 0.559 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.24 -16.86 4.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 112.047 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -104.2 145.49 12.89 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 93.1 m -143.2 162.96 34.22 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 123.948 0.899 . . . . 0.0 109.941 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -155.19 107.2 2.67 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.9 m -95.1 110.46 22.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 120.983 0.421 . . . . 0.0 112.129 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.43 118.41 46.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -94.89 117.54 30.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.177 0.513 . . . . 0.0 111.447 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.211 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.708 -175.761 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.427 -1.576 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.4 m -95.56 139.49 31.75 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -101.94 110.54 22.54 Favored 'General case' 0 C--N 1.264 -3.123 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.9 102.05 14.33 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-O 121.644 0.735 . . . . 0.0 110.584 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.1 pt -97.6 132.25 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.847 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.075 0.464 . . . . 0.0 112.043 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.87 -97.22 2.5 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -78.65 -78.76 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -136.36 -1.69 2.31 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.726 173.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.79 145.66 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -124.13 157.21 35.18 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-O 121.535 0.683 . . . . 0.0 109.833 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -119.68 107.03 12.73 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.39 99.57 12.3 Favored 'General case' 0 N--CA 1.411 -2.395 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 pt -101.05 115.98 43.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.504 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.8 m -86.82 163.89 16.97 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.041 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.553 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.664 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.1 mt . . . . . 0 C--O 1.249 1.057 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -109.22 150.06 28.48 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -124.4 120.09 31.1 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.6 m -91.39 100.6 13.35 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-O 121.345 0.593 . . . . 0.0 111.012 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.1 pt -109.4 151.11 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.776 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.825 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.7 m -130.8 143.78 50.98 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.259 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.37 -95.57 1.5 Allowed Glycine 0 CA--C 1.489 -1.558 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.24 -76.2 0.45 Allowed 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -125.95 -0.07 7.26 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 111.702 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 mt -89.21 141.96 13.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -139.92 159.0 43.16 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -160.66 129.26 4.67 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.621 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.1 m -91.53 99.54 12.46 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.74 132.69 32.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.038 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -115.1 175.33 5.55 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.87 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.392 178.217 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 114.695 0.638 . . . . 0.0 114.695 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -130.88 151.41 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.1 m -118.93 153.23 34.94 Favored 'General case' 0 N--CA 1.417 -2.111 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.761 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -125.62 99.89 6.2 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 97.4 m -82.6 104.82 13.15 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.66 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 43.9 mt -95.49 123.2 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.003 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.89 150.03 45.13 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 120.815 0.341 . . . . 0.0 111.754 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.12 -103.47 2.86 Favored Glycine 0 N--CA 1.425 -2.073 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -84.89 -68.43 0.72 Allowed 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 173.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -132.91 -11.28 2.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.1 mm -86.71 139.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 62.4 m -140.43 158.82 43.43 Favored 'General case' 0 C--N 1.27 -2.879 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.23 -176.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 4.1 mmp_? -139.69 112.29 7.84 Favored 'General case' 0 C--N 1.282 -2.345 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 86.1 m -96.07 99.48 11.23 Favored 'General case' 0 N--CA 1.41 -2.441 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.649 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.3 pt -90.24 120.22 38.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.878 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.6 m -110.0 118.49 36.56 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.68 -70.81 0.78 Allowed Glycine 0 N--CA 1.432 -1.632 0 C-N-CA 119.705 -1.236 . . . . 0.0 111.807 -176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--N 1.304 -1.386 0 CA-C-O 120.775 0.321 . . . . 0.0 111.293 -179.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.918 0 N-CA-C 112.829 -0.108 . . . . 0.0 112.829 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 tt -134.03 152.91 35.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 O-C-N 122.444 -0.445 . . . . 0.0 110.688 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 36.3 m -121.83 147.43 45.97 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.201 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -130.73 124.17 30.89 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.192 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 66.6 m -95.81 102.61 14.43 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-O 121.56 0.695 . . . . 0.0 110.038 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -94.95 133.18 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.58 153.38 46.47 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.89 -104.36 2.67 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -92.41 -53.16 4.33 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -136.73 -11.33 1.8 Allowed 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.5 147.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.15 159.4 42.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -152.39 111.5 3.85 Favored 'General case' 0 C--N 1.283 -2.283 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.116 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.4 m -89.3 99.44 12.43 Favored 'General case' 0 N--CA 1.418 -2.063 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 174.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tt -97.83 119.87 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.652 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.215 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.6 m -93.74 123.71 37.26 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.105 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.21 -91.57 1.64 Allowed Glycine 0 N--CA 1.426 -1.992 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 . . . . . 0 C--N 1.294 -1.83 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.609 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 112.932 -0.067 . . . . 0.0 112.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.2 mt -121.37 145.85 27.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 m -118.91 146.33 45.02 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -110.67 110.83 21.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.2 m -87.72 102.85 15.04 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-O 121.593 0.711 . . . . 0.0 112.026 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.5 mm -91.21 131.51 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.755 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.4 m -121.86 142.16 50.53 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-O 120.681 0.277 . . . . 0.0 110.496 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.01 -112.4 3.59 Favored Glycine 0 N--CA 1.43 -1.703 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 28.8 ptt-85 -71.11 -43.04 68.45 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 3.4 mmp_? -159.96 -37.56 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.747 0.819 . . . . 0.0 111.436 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.75 143.66 13.14 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.7 m -121.43 156.2 33.22 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.395 0.617 . . . . 0.0 110.891 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -127.86 104.72 7.98 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 114.135 -1.393 . . . . 0.0 108.087 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.9 m -92.22 102.55 15.06 Favored 'General case' 0 N--CA 1.416 -2.129 0 CA-C-O 121.384 0.612 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 tp -88.18 124.15 41.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.086 -0.961 . . . . 0.0 108.743 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -101.48 126.97 48.34 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.406 -176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.31 -64.64 1.07 Allowed Glycine 0 N--CA 1.428 -1.87 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.239 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 . . . . . 0 N--CA 1.431 -1.42 0 CA-C-O 121.59 0.71 . . . . 0.0 109.148 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.875 0 CA-C-O 120.771 0.095 . . . . 0.0 113.201 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.3 mt -118.29 151.38 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.8 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 7.1 m -123.41 137.88 54.72 Favored 'General case' 0 N--CA 1.415 -2.22 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.974 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -83.58 103.9 13.28 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.271 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 70.2 m -96.7 123.3 40.35 Favored 'General case' 0 N--CA 1.41 -2.449 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.767 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 pt -126.64 138.23 55.39 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.6 m -102.99 145.16 30.29 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-O 121.084 0.469 . . . . 0.0 112.025 -175.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -116.09 2.61 Favored Glycine 0 N--CA 1.425 -2.082 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -90.23 -37.15 14.32 Favored 'General case' 0 C--N 1.288 -2.088 0 C-N-CA 120.503 -0.479 . . . . 0.0 109.93 178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -137.15 -55.03 0.71 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 122.266 1.032 . . . . 0.0 109.804 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.6 mt -79.5 154.48 4.69 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.206 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 20.6 m -126.05 152.01 46.37 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 52.6 ttp180 -117.15 115.98 26.4 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.6 m -105.79 99.9 9.48 Favored 'General case' 0 N--CA 1.418 -2.036 0 O-C-N 123.731 0.644 . . . . 0.0 110.748 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -88.38 117.21 31.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m -85.13 135.38 34.0 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.44 -91.81 2.12 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 31.9 mmt180 . . . . . 0 C--N 1.3 -1.553 0 CA-C-O 121.364 0.602 . . . . 0.0 110.056 176.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.938 0.188 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.5 mm -116.71 145.57 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 12.5 m -121.69 145.71 47.75 Favored 'General case' 0 C--N 1.286 -2.195 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 95.5 mtt180 -108.5 115.71 30.61 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 -179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 93.1 m -97.97 100.26 11.59 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.025 0.441 . . . . 0.0 111.793 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 pt -98.86 129.51 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.474 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -117.13 155.17 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.03 -113.15 1.95 Allowed Glycine 0 CA--C 1.491 -1.462 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 10' ' ' ARG . 2.3 ptm180 -69.85 -60.41 2.32 Favored 'General case' 0 N--CA 1.433 -1.323 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.275 177.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 37.5 mmt180 -146.88 4.67 0.86 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 -175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.6 mt -124.65 149.0 28.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -174.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -125.5 159.82 31.04 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-O 121.33 0.586 . . . . 0.0 109.525 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -134.96 101.83 5.02 Favored 'General case' 0 C--N 1.28 -2.417 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 81.8 m -93.32 105.26 17.35 Favored 'General case' 0 N--CA 1.416 -2.167 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.7 tp -99.47 125.72 52.98 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 68.1 m -94.84 123.48 38.33 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -178.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 -72.64 1.26 Allowed Glycine 0 CA--C 1.489 -1.59 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 . . . . . 0 C--N 1.295 -1.792 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 176.175 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.296 0 N-CA-C 113.717 0.247 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.4 tt -126.63 159.96 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.371 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -174.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 23.0 m -110.14 144.52 38.64 Favored 'General case' 0 N--CA 1.418 -2.059 0 CA-C-O 121.489 0.661 . . . . 0.0 110.504 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -114.52 114.98 26.49 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.642 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.8 m -89.58 99.23 12.28 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 121.736 0.779 . . . . 0.0 110.598 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 pt -97.55 140.25 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.945 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.833 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.1 m -118.26 144.66 45.62 Favored 'General case' 0 C--N 1.282 -2.342 0 CA-C-O 120.904 0.383 . . . . 0.0 111.396 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.78 -104.96 1.77 Allowed Glycine 0 N--CA 1.427 -1.942 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 177.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -94.69 -55.62 3.06 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -138.33 -2.4 1.82 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -116.59 151.75 18.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.7 m -129.93 157.54 42.0 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.266 0.555 . . . . 0.0 110.37 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -134.61 123.68 24.18 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -91.49 99.28 12.24 Favored 'General case' 0 N--CA 1.408 -2.537 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.3 tt -95.49 116.47 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.839 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.021 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.4 m -81.39 135.33 35.66 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.118 -179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -118.66 -85.85 1.03 Allowed Glycine 0 N--CA 1.432 -1.604 0 C-N-CA 119.677 -1.249 . . . . 0.0 111.195 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 . . . . . 0 N--CA 1.428 -1.547 0 CA-C-O 121.045 0.45 . . . . 0.0 110.082 179.079 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 113.728 0.251 . . . . 0.0 113.728 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -137.44 151.39 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.7 m -129.64 150.82 50.8 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.568 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -109.81 109.48 20.16 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 80.0 m -108.32 112.38 24.8 Favored 'General case' 0 N--CA 1.421 -1.91 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 pt -92.18 144.96 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.737 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 67.6 m -126.5 147.32 49.85 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.518 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.54 3.5 Favored Glycine 0 CA--C 1.493 -1.301 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -73.08 -31.9 64.66 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 123.802 0.354 . . . . 0.0 110.525 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -172.52 -39.56 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.224 0 CA-C-O 121.675 0.75 . . . . 0.0 109.402 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mm -72.12 144.34 13.24 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.242 0 CA-C-N 114.476 -1.238 . . . . 0.0 107.866 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.69 160.08 24.03 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.74 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -129.02 108.61 10.53 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 81.8 m -102.45 124.5 48.12 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.789 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 tt -108.55 132.73 55.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 172.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.9 m -116.7 147.88 41.58 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.845 -172.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.85 -86.64 1.93 Allowed Glycine 0 CA--C 1.489 -1.591 0 N-CA-C 107.387 -2.285 . . . . 0.0 107.387 173.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 . . . . . 0 C--N 1.3 -1.581 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 172.468 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.949 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -88.57 138.57 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.6 m -119.7 148.92 42.81 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.391 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -132.07 122.03 24.78 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.925 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 69.0 m -99.46 117.56 34.14 Favored 'General case' 0 N--CA 1.419 -1.979 0 CA-C-O 121.169 0.509 . . . . 0.0 110.559 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.0 pt -112.06 146.73 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -126.04 142.32 51.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 120.983 0.42 . . . . 0.0 111.558 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.73 -110.69 3.45 Favored Glycine 0 N--CA 1.427 -1.921 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.464 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -67.82 -35.56 78.84 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 123.319 0.648 . . . . 0.0 109.7 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -172.64 -38.36 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.707 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 11' ' ' ILE . 3.0 mp -74.16 151.05 7.24 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-N 114.118 -1.401 . . . . 0.0 107.563 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.2 m -126.73 159.44 33.73 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.859 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -134.59 119.38 18.31 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.1 m -98.46 100.65 11.93 Favored 'General case' 0 N--CA 1.415 -2.182 0 CA-C-O 121.27 0.557 . . . . 0.0 110.187 178.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 pt -84.73 145.31 8.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.9 m -130.93 147.95 52.64 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.67 -77.66 0.17 Allowed Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.551 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? . . . . . 0 C--N 1.312 -1.053 0 CA-C-O 121.18 0.514 . . . . 0.0 110.13 -178.886 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.92 139.16 51.83 Favored 'Isoleucine or valine' 0 C--O 1.246 0.914 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.9 m -109.45 149.04 30.15 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -156.38 142.43 18.1 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -101.83 102.21 12.78 Favored 'General case' 0 N--CA 1.414 -2.275 0 CA-C-O 121.377 0.608 . . . . 0.0 109.504 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.2 mm -82.04 124.47 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.912 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.8 m -113.18 146.96 38.38 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.948 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.14 -104.99 2.99 Favored Glycine 0 N--CA 1.425 -2.07 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -88.45 -63.83 1.24 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -129.4 -15.37 4.09 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.0 mm -95.21 148.17 5.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -137.11 156.32 48.51 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -133.05 113.71 13.1 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.244 178.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.6 m -87.86 99.81 12.4 Favored 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.2 pt -109.09 154.5 10.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.965 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.403 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 64.4 m -120.04 115.21 23.27 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 176.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.15 -85.19 1.43 Allowed Glycine 0 N--CA 1.431 -1.679 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.943 -174.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 C--N 1.307 -1.242 0 CA-C-O 121.503 0.668 . . . . 0.0 111.086 -178.409 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.358 0 N-CA-C 114.026 0.37 . . . . 0.0 114.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.7 mm -114.51 147.1 18.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.9 m -126.02 148.75 49.22 Favored 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 175.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -124.79 114.45 19.26 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 55.7 m -102.04 117.16 34.22 Favored 'General case' 0 N--CA 1.409 -2.48 0 CA-C-O 121.428 0.632 . . . . 0.0 111.454 -175.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 pt -91.92 136.17 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 173.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.2 m -124.01 149.6 45.86 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.92 -114.02 3.7 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -79.4 -63.29 1.45 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -141.63 5.67 1.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.869 0.366 . . . . 0.0 111.874 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.0 mt -115.19 149.37 17.43 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.3 m -131.84 165.43 23.85 Favored 'General case' 0 C--N 1.294 -1.846 0 CA-C-O 121.2 0.524 . . . . 0.0 110.831 -177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 71.7 mtp180 -123.83 111.69 16.41 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 175.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -95.37 109.82 21.93 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.407 0.622 . . . . 0.0 111.128 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.8 mm -93.2 115.04 31.07 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.3 m -106.78 146.73 30.52 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.161 -177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.36 -82.2 0.38 Allowed Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 120.474 -0.87 . . . . 0.0 111.13 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.309 -1.163 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.831 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.8 mt -135.64 144.1 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.733 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.5 m -102.26 154.14 19.32 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-O 121.13 0.49 . . . . 0.0 110.249 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -129.8 109.45 10.95 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.39 99.29 11.52 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 41.1 pt -89.29 147.44 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.245 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.188 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -137.63 135.8 36.91 Favored 'General case' 0 C--N 1.278 -2.523 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.07 -116.78 3.44 Favored Glycine 0 N--CA 1.422 -2.262 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -110.6 -14.07 14.12 Favored 'General case' 0 N--CA 1.416 -2.141 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.964 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 11' ' ' ILE . 15.8 ptt180 -149.92 -4.34 0.37 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.507 HG13 ' HG3' ' A' ' 10' ' ' ARG . 19.6 mt -128.02 154.9 39.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 71.1 m -136.16 162.95 31.52 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -162.22 123.04 2.57 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 95.0 m -93.64 100.68 12.88 Favored 'General case' 0 N--CA 1.423 -1.807 0 CA-C-O 121.822 0.82 . . . . 0.0 110.499 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.9 127.77 46.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.42 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -123.01 121.27 35.67 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.1 -59.13 0.06 OUTLIER Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 119.698 -1.239 . . . . 0.0 113.345 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 . . . . . 0 C--N 1.31 -1.131 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -175.378 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.274 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.9 144.35 28.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 O-C-N 122.294 -0.533 . . . . 0.0 109.911 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.8 m -135.03 150.39 50.29 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.439 1.095 . . . . 0.0 108.998 176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -142.31 133.68 26.4 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.239 0.616 . . . . 0.0 109.604 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.3 m -99.07 103.64 15.58 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.844 0.83 . . . . 0.0 109.934 177.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 32.6 pt -101.44 141.73 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.094 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.822 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.9 m -126.56 137.79 53.39 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.04 -119.13 3.95 Favored Glycine 0 C--N 1.299 -1.515 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -89.01 -15.4 34.21 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 120.748 0.308 . . . . 0.0 111.209 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -163.26 -39.0 0.03 OUTLIER 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.78 0.8 . . . . 0.0 111.905 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.5 mt -81.85 148.81 5.1 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.682 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 67.0 m -137.14 157.91 45.61 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -163.4 132.85 4.11 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -178.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 84.6 m -93.32 99.19 11.77 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.6 pt -83.47 142.19 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.837 -177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.3 m -136.08 136.94 40.58 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.569 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.25 -123.27 4.74 Favored Glycine 0 N--CA 1.418 -2.528 0 N-CA-C 107.246 -2.342 . . . . 0.0 107.246 171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--N 1.287 -2.132 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 174.51 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.526 0 CA-C-O 120.844 0.136 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 52.3 mt -96.14 134.53 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.247 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.1 m -127.0 154.56 44.46 Favored 'General case' 0 C--N 1.272 -2.773 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.956 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.96 129.47 22.6 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.378 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 86.0 m -103.38 115.49 30.65 Favored 'General case' 0 N--CA 1.418 -2.031 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.644 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pp -104.67 148.17 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.184 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.1 m -125.5 162.28 25.25 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-O 121.143 0.497 . . . . 0.0 112.054 -175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.0 -114.91 3.9 Favored Glycine 0 N--CA 1.419 -2.455 0 N-CA-C 106.213 -2.755 . . . . 0.0 106.213 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -99.84 -44.87 5.91 Favored 'General case' 0 C--N 1.29 -2.022 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.843 172.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -123.69 -29.02 3.78 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.96 145.57 9.96 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.036 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.09 156.81 43.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.05 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -135.26 118.58 16.71 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.267 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.8 m -100.42 107.86 19.71 Favored 'General case' 0 N--CA 1.419 -1.986 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.349 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.2 pt -101.84 148.09 7.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -127.16 144.86 50.94 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.5 -127.13 6.0 Favored Glycine 0 N--CA 1.418 -2.512 0 N-CA-C 107.847 -2.101 . . . . 0.0 107.847 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 34.4 mmt180 . . . . . 0 C--N 1.292 -1.909 0 CA-C-N 117.78 0.79 . . . . 0.0 110.692 176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 120.844 0.135 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -114.34 144.79 21.16 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 64.4 m -127.13 141.51 51.74 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 177.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -137.34 125.39 22.88 Favored 'General case' 0 C--N 1.288 -2.106 0 C-N-CA 123.282 0.633 . . . . 0.0 109.474 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.6 m -93.7 101.14 13.26 Favored 'General case' 0 N--CA 1.425 -1.719 0 CA-C-O 121.408 0.623 . . . . 0.0 109.622 177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.5 mt -82.91 134.96 25.78 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.069 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.5 m -131.24 144.02 51.0 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.231 0.539 . . . . 0.0 111.454 -178.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.24 -132.51 7.65 Favored Glycine 0 N--CA 1.428 -1.876 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 173.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -79.98 -33.7 39.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 117.413 0.606 . . . . 0.0 110.692 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -149.82 -1.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.5 mt -109.31 146.14 15.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 75.8 m -142.33 159.4 42.32 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -165.41 135.17 3.54 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 123.957 0.785 . . . . 0.0 109.144 177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.4 m -102.26 111.74 24.15 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-O 121.218 0.533 . . . . 0.0 110.691 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 3.0 mp -97.31 129.91 46.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.7 m -114.89 116.57 28.76 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.77 -79.32 1.45 Allowed Glycine 0 N--CA 1.433 -1.502 0 C-N-CA 120.058 -1.068 . . . . 0.0 111.433 -176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 . . . . . 0 C--N 1.293 -1.859 0 CA-C-O 121.731 0.777 . . . . 0.0 110.838 -178.753 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.928 0 CA-C-O 120.315 -0.158 . . . . 0.0 113.143 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.3 mt -125.51 145.82 32.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 68.3 m -118.39 151.97 36.74 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.239 0.543 . . . . 0.0 111.137 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -125.32 120.89 32.42 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.6 m -118.18 120.82 38.87 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.184 0.516 . . . . 0.0 112.171 -176.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 pt -100.91 137.27 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.303 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 173.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.6 m -144.39 148.78 35.1 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-O 120.847 0.355 . . . . 0.0 110.752 -176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.04 -124.06 4.43 Favored Glycine 0 N--CA 1.418 -2.552 0 N-CA-C 106.99 -2.444 . . . . 0.0 106.99 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -114.02 4.34 15.66 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 117.609 0.705 . . . . 0.0 110.096 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -143.1 -61.72 0.42 Allowed 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.576 0.703 . . . . 0.0 111.233 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 mt -91.07 149.75 3.97 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.948 -174.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.9 m -137.41 166.61 23.41 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.352 0.596 . . . . 0.0 111.42 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -145.99 114.37 6.7 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 125.355 1.462 . . . . 0.0 108.16 175.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.8 m -110.61 111.78 23.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mm -102.14 118.47 49.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 94.3 m -97.59 131.21 44.39 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.424 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.47 -107.65 2.55 Favored Glycine 0 N--CA 1.428 -1.845 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.3 -1.56 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.483 0 CA-C-O 121.07 0.261 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' CYS . 20.0 mt -104.09 141.62 19.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 -178.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 51.2 m -109.1 154.26 22.53 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-O 121.356 0.598 . . . . 0.0 109.887 175.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -123.89 119.83 30.79 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 66.0 m -94.95 99.9 11.85 Favored 'General case' 0 N--CA 1.419 -2.019 0 CA-C-O 121.54 0.686 . . . . 0.0 110.353 -178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.7 pt -102.36 152.87 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.791 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.708 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.59 146.78 50.75 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-O 121.006 0.431 . . . . 0.0 111.016 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.94 -107.63 2.47 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -80.26 -60.28 2.39 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -144.57 -0.39 0.95 Allowed 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.151 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.75 144.95 14.98 Favored 'Isoleucine or valine' 0 C--O 1.249 1.037 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.3 m -126.25 162.3 25.76 Favored 'General case' 0 C--N 1.285 -2.236 0 O-C-N 123.402 0.439 . . . . 0.0 109.979 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -151.88 132.33 13.8 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.56 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.8 m -100.45 109.21 21.34 Favored 'General case' 0 N--CA 1.416 -2.127 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.128 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 8.1 tt -102.96 126.74 57.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 2' ' ' ILE . 2.3 m -99.24 134.98 41.31 Favored 'General case' 0 C--N 1.307 -1.248 0 C-N-CA 122.696 0.398 . . . . 0.0 111.433 176.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -109.64 -61.74 0.52 Allowed Glycine 0 N--CA 1.426 -2.02 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 . . . . . 0 C--N 1.311 -1.094 0 CA-C-O 121.026 0.441 . . . . 0.0 110.791 -178.057 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.589 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 53.9 mt -145.1 146.95 19.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.0 m -91.42 143.9 26.14 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.143 0.497 . . . . 0.0 110.393 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -121.37 126.5 49.56 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.152 -0.931 . . . . 0.0 108.491 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -94.4 107.51 19.47 Favored 'General case' 0 N--CA 1.415 -2.216 0 CA-C-O 121.737 0.779 . . . . 0.0 110.641 -179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.7 mm -87.71 133.71 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.255 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.4 m -119.19 138.99 52.57 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.56 -107.32 2.93 Favored Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -99.53 -62.16 1.27 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 120.87 0.366 . . . . 0.0 110.351 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -125.43 -5.27 7.15 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mt -116.14 149.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -132.27 168.56 17.85 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -159.6 135.76 8.87 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 176.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.4 m -95.36 109.35 21.52 Favored 'General case' 0 C--N 1.287 -2.136 0 CA-C-O 122.09 0.948 . . . . 0.0 110.829 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.3 129.38 43.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.631 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -118.59 154.13 33.12 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.11 -32.37 0.66 Allowed Glycine 0 N--CA 1.428 -1.884 0 C-N-CA 119.132 -1.508 . . . . 0.0 113.057 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 . . . . . 0 C--N 1.315 -0.892 0 CA-C-O 121.32 0.581 . . . . 0.0 110.547 -176.609 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.483 0 CA-C-O 121.002 0.223 . . . . 0.0 112.893 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.8 mm -122.06 149.79 25.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.5 m -113.1 147.36 37.47 Favored 'General case' 0 N--CA 1.42 -1.951 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.5 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.2 101.78 10.51 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -95.29 101.36 13.09 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.819 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 40.4 mm -78.19 112.07 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.913 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 175.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 90.3 m -126.73 143.96 51.08 Favored 'General case' 0 C--N 1.274 -2.699 0 O-C-N 123.759 0.662 . . . . 0.0 111.484 -175.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.44 -134.91 5.87 Favored Glycine 0 N--CA 1.413 -2.855 0 N-CA-C 107.867 -2.093 . . . . 0.0 107.867 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -79.78 -44.67 20.23 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 117.317 0.559 . . . . 0.0 110.204 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -128.24 -16.86 4.39 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.029 0.442 . . . . 0.0 112.047 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -104.2 145.49 12.89 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -175.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 93.1 m -143.2 162.96 34.22 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 123.948 0.899 . . . . 0.0 109.941 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -155.19 107.2 2.67 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 176.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.9 m -95.1 110.46 22.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-O 120.983 0.421 . . . . 0.0 112.129 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.43 118.41 46.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.7 m -94.89 117.54 30.3 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 121.177 0.513 . . . . 0.0 111.447 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.74 -110.44 3.02 Favored Glycine 0 N--CA 1.423 -2.211 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.708 -175.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 . . . . . 0 C--N 1.298 -1.648 0 CA-C-O 121.564 0.697 . . . . 0.0 111.841 -177.815 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.757 0 CA-C-O 121.035 0.241 . . . . 0.0 113.64 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -116.07 149.87 18.19 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.4 m -95.56 139.49 31.75 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -101.94 110.54 22.54 Favored 'General case' 0 C--N 1.264 -3.123 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.9 102.05 14.33 Favored 'General case' 0 N--CA 1.412 -2.346 0 CA-C-O 121.644 0.735 . . . . 0.0 110.584 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.1 pt -97.6 132.25 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.186 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.847 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.2 m -115.38 149.54 37.78 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.075 0.464 . . . . 0.0 112.043 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.87 -97.22 2.5 Favored Glycine 0 N--CA 1.441 -1.023 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -78.65 -78.76 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 176.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -136.36 -1.69 2.31 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.726 173.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.79 145.66 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 m -124.13 157.21 35.18 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-O 121.535 0.683 . . . . 0.0 109.833 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -119.68 107.03 12.73 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.39 99.57 12.3 Favored 'General case' 0 N--CA 1.411 -2.395 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 pt -101.05 115.98 43.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.504 -178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.8 m -86.82 163.89 16.97 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.041 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.78 -49.76 0.04 OUTLIER Glycine 0 N--CA 1.433 -1.553 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 . . . . . 0 C--N 1.311 -1.083 0 CA-C-O 121.052 0.453 . . . . 0.0 111.829 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.397 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 64.1 mt -157.7 153.31 6.46 Favored 'Isoleucine or valine' 0 C--O 1.249 1.057 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -109.22 150.06 28.48 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -124.4 120.09 31.1 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.6 m -91.39 100.6 13.35 Favored 'General case' 0 N--CA 1.432 -1.328 0 CA-C-O 121.345 0.593 . . . . 0.0 111.012 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.1 pt -109.4 151.11 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.776 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.825 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.7 m -130.8 143.78 50.98 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.259 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.37 -95.57 1.5 Allowed Glycine 0 CA--C 1.489 -1.558 0 N-CA-C 109.134 -1.586 . . . . 0.0 109.134 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -91.24 -76.2 0.45 Allowed 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -125.95 -0.07 7.26 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.792 0.33 . . . . 0.0 111.702 173.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.6 mt -89.21 141.96 13.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.8 m -139.92 159.0 43.16 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -160.66 129.26 4.67 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.621 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.1 m -91.53 99.54 12.46 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 172.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.74 132.69 32.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.038 -175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -115.1 175.33 5.55 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.23 19.13 5.98 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.392 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 . . . . . 0 C--N 1.321 -0.639 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -178.64 . . . . . . . . 0 0 . 1 stop_ save_