data_2k1v_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 2k1v _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 20.4 p90 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.771 0.319 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.43 143.2 10.22 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.74 142.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.769 0.318 . . . . 0.0 110.73 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -72.91 113.76 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.093 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.838 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 69.2 mt -127.85 132.24 49.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 39.1 m -142.26 151.7 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.75 0.31 . . . . 0.0 111.017 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.41 -133.06 38.84 Favored Glycine 0 CA--C 1.519 0.284 0 N-CA-C 114.708 0.643 . . . . 0.0 114.708 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.482 ' HD2' ' OE1' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -67.23 -30.14 69.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.213 -179.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.482 ' OE1' ' HD2' ' B' ' 12' ' ' ARG . 52.5 mp0 -63.8 -40.95 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.838 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 7.0 t80 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.045 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.423 HG22 HD12 ' B' ' 15' ' ' ILE . 59.3 mt -61.7 -39.89 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.329 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' B' ' 16' ' ' ARG . 14.6 mmt180 -63.89 -39.11 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.259 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.43 -34.9 79.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.801 0.334 . . . . 0.0 110.687 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.403 HG21 ' O ' ' B' ' 14' ' ' PHE . 60.7 t -65.56 -44.93 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 121.609 0.718 . . . . 0.0 109.09 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.518 HD11 ' HA ' ' B' ' 19' ' ' ILE . 11.4 mm -69.88 -34.0 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.348 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 17' ' ' MET . 33.3 m -67.86 -35.66 78.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.884 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.34 -25.62 68.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.666 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.5 32.66 8.53 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.574 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.65 55.78 25.15 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.67 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -59.57 -50.43 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -173.86 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 111.595 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.506 ' CG ' HG13 ' B' ' 19' ' ' ILE . 32.2 m95 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 5.0 p-10 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.243 0.544 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.854 HD22 ' HG ' ' A' ' 23' ' ' LEU . 24.3 tp -73.11 -52.13 15.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.735 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 7.8 tt0 -90.08 -62.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.426 0.631 . . . . 0.0 112.078 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.6 m -56.06 -57.26 12.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.914 -1.039 . . . . 0.0 113.421 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' A' ' 13' ' ' ASP . 26.2 tp -69.34 -14.72 63.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 18.8 t -64.28 -38.5 91.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 111.45 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 t -74.84 -32.05 61.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -83.18 -57.35 3.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.535 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -103.12 -59.8 1.65 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.347 -179.097 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.91 142.19 3.82 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.192 -1.004 . . . . 0.0 112.688 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HD12 ' B' ' 9' ' ' LEU . 28.6 p -117.61 145.12 44.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -78.18 142.14 38.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.499 ' HA ' HD11 ' A' ' 20' ' ' LEU . 66.1 mtm -59.04 -39.32 81.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.83 0.348 . . . . 0.0 110.196 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -57.77 -41.02 81.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.46 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.33 -39.32 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 17' ' ' MET . 90.2 mt -54.73 -31.32 58.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.561 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -52.11 -33.21 38.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.864 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.71 85.03 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.854 ' HG ' HD22 ' A' ' 6' ' ' LEU . 84.5 mt -68.99 -40.2 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.577 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.534 ' HE1' ' HA3' ' A' ' 14' ' ' GLY . 7.5 t80 . . . . . 0 N--CA 1.447 -0.581 0 CA-C-O 120.558 0.218 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.93 -58.58 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.229 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.471 HG13 HD21 ' B' ' 9' ' ' LEU . 13.2 p -173.94 157.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 117.008 0.404 . . . . 0.0 111.483 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.673 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 54.5 mtt85 -83.54 130.57 35.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.488 HD11 HD22 ' A' ' 20' ' ' LEU . 43.4 mt -136.74 136.87 39.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 64.5 m -139.17 168.37 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.098 0.475 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.35 -146.57 15.34 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.323 -0.853 . . . . 0.0 114.125 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.418 ' H ' ' NE ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -71.07 -12.68 61.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.102 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.28 -46.05 71.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 7' ' ' GLN . 34.0 t80 -61.62 -48.16 82.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.44 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.419 ' N ' HD13 ' B' ' 15' ' ' ILE . 1.8 mp -58.35 -47.21 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.451 ' NH2' HG12 ' B' ' 19' ' ' ILE . 1.6 tpm_? -63.33 -39.46 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.486 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.764 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.586 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 62.1 t -63.15 -42.98 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.522 ' N ' HD13 ' B' ' 19' ' ' ILE . 1.7 mp -65.13 -45.9 92.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.381 -1.282 . . . . 0.0 109.575 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -55.94 -51.63 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.132 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -65.14 -31.76 73.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.015 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 t -69.83 -41.32 75.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.53 -37.36 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.22 56.72 6.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.815 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 23.9 m -150.31 -47.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 0.0 110.604 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.289 0.566 . . . . 0.0 109.726 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.468 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.221 0 CA-C-N 114.726 -1.125 . . . . 0.0 108.017 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 1.4 t70 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 121.197 0.522 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.2 mm? -91.27 -92.09 0.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.554 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 65.2 tp60 -42.97 -51.12 5.75 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.8 m -69.8 -60.43 2.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.656 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 27.4 tp -61.31 -41.99 97.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.584 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 79.7 m -60.14 -25.92 65.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.4 t -86.88 -44.96 11.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 m -68.12 -55.27 13.05 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.673 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 37.5 t70 -114.22 -35.36 5.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.293 0.568 . . . . 0.0 110.945 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.584 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.39 -166.64 12.37 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.037 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -173.67 174.97 3.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -80.41 149.16 30.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.416 ' HE1' ' HB2' ' A' ' 17' ' ' MET . 3.6 mpp? -58.11 -35.8 71.98 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 m -61.44 -31.18 71.12 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -59.85 -35.27 74.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.353 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.586 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.4 mp -61.66 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.433 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m -52.81 -31.94 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.07 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 6' ' ' LEU . 54.5 mt -68.31 -30.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 37.2 t . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.939 0.399 . . . . 0.0 111.002 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.585 ' HE1' ' H ' ' A' ' 17' ' ' MET . 53.9 p90 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.76 141.33 7.3 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.898 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.6 138.35 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.231 0.539 . . . . 0.0 110.58 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 mmt85 -73.53 120.16 18.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.943 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.864 HD11 ' HB2' ' A' ' 15' ' ' CYS . 35.0 mt -123.94 136.28 54.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.999 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 77.4 m -138.67 136.79 36.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.025 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.05 -120.19 10.43 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 114.92 0.728 . . . . 0.0 114.92 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.548 ' HA ' ' HE ' ' B' ' 12' ' ' ARG . 4.2 tpm_? -57.48 -41.26 80.31 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.121 0.568 . . . . 0.0 112.278 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.83 -42.64 98.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.636 ' CE2' ' HG3' ' A' ' 7' ' ' GLN . 42.4 t80 -58.44 -47.87 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.687 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.616 ' O ' HD13 ' B' ' 19' ' ' ILE . 50.5 mm -60.26 -45.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.988 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -63.16 -38.49 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.352 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.422 ' CB ' HD12 ' B' ' 9' ' ' LEU . . . -65.36 -34.38 78.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.015 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.515 HG21 ' HG ' ' A' ' 20' ' ' LEU . 87.8 t -65.14 -42.9 95.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.616 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.2 mp -64.2 -43.0 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.047 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.93 -36.21 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -61.11 -35.74 77.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 m -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.53 30.72 78.65 Favored Glycine 0 C--N 1.33 0.227 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.0 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.675 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.83 28.19 52.04 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.446 -0.407 . . . . 0.0 112.892 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 42.1 m -92.11 28.32 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 111.267 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -177.08 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.42 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.675 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.071 -1.443 . . . . 0.0 108.426 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 13.9 p-10 . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.991 0.425 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 19' ' ' ASP . 22.7 tp -81.69 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.707 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.636 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 45.4 tt0 -76.55 -57.24 3.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.268 0.556 . . . . 0.0 112.089 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -56.9 -47.28 80.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.234 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' N ' HD11 ' A' ' 9' ' ' LEU . 9.2 mp -93.22 26.74 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.696 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 13.6 t -68.86 -38.58 79.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.27 0.557 . . . . 0.0 109.812 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.532 ' O ' ' HD2' ' B' ' 8' ' ' ARG . 66.7 m -73.47 -22.18 60.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.444 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -87.23 -52.39 5.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.77 -64.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.491 . . . . 0.0 111.182 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.74 113.92 1.67 Allowed Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.864 ' HB2' HD11 ' B' ' 9' ' ' LEU . 87.7 m -67.71 147.41 52.69 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.8 m -120.3 147.19 45.32 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.953 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.585 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 59.5 ttp -53.46 -38.49 63.63 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.273 0.358 . . . . 0.0 111.514 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -48.59 80.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.876 0.37 . . . . 0.0 111.596 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' HB3' HD12 ' A' ' 6' ' ' LEU . 1.3 m-20 -64.99 -42.38 94.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.458 0.647 . . . . 0.0 110.28 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 15' ' ' CYS . 7.2 mp -64.68 -24.85 67.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.053 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -56.22 -38.44 71.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.411 . . . . 0.0 110.455 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.14 71.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.993 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.81 -42.64 70.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 179.52 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 9.1 p90 . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.33 150.39 19.54 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.639 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.12 144.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.756 0.312 . . . . 0.0 110.29 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 68.0 mtt85 -80.9 120.33 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.825 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 49.2 mt -125.79 131.77 52.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.522 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 13' ' ' GLU . 1.5 m -152.13 163.94 38.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.755 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.517 ' O ' HD12 ' B' ' 15' ' ' ILE . . . 58.18 -137.7 49.65 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.159 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.783 ' HD3' ' H ' ' B' ' 12' ' ' ARG . 0.1 OUTLIER -64.82 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.758 0.313 . . . . 0.0 110.286 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 10' ' ' CYS . 9.3 mp0 -62.04 -45.16 94.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.244 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.49 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 43.2 t80 -60.54 -53.79 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.144 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.524 ' O ' HG12 ' B' ' 19' ' ' ILE . 1.9 mp -59.11 -43.08 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.763 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.79 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 2.0 tpm_? -62.13 -46.61 88.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.028 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.33 88.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.317 0.386 . . . . 0.0 111.676 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.416 HG21 ' O ' ' B' ' 14' ' ' PHE . 96.1 t -65.34 -42.88 94.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.524 HG12 ' O ' ' B' ' 15' ' ' ILE . 6.6 mm -70.61 -34.96 59.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.394 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -68.71 -35.63 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.009 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.53 -20.23 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.46 29.58 26.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.233 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.04 53.92 38.95 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.78 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -53.67 -54.37 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -171.35 53.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.314 0.578 . . . . 0.0 111.015 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.43 ' CG ' HG13 ' B' ' 19' ' ' ILE . 37.4 m95 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.105 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.605 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.978 0.418 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.611 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 26.5 tp -66.42 -58.39 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -90.43 -61.85 1.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -54.81 -52.84 61.44 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.664 HD11 ' HB ' ' A' ' 12' ' ' THR . 22.2 tp -79.02 -6.95 57.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 13.2 t -63.83 -36.68 84.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -43.25 66.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.133 0.492 . . . . 0.0 110.96 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.664 ' HB ' HD11 ' A' ' 9' ' ' LEU . 5.9 m -73.96 -47.51 36.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.397 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.52 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 16.9 t70 -114.1 -65.93 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.638 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.84 153.28 6.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.918 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.5 p -133.7 143.46 48.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.091 0.472 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.545 ' HB3' ' CZ ' ' B' ' 5' ' ' TYR . 17.8 m -80.94 148.07 29.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.511 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.41 ' HG3' ' CE2' ' B' ' 5' ' ' TYR . 4.7 ppp? -61.94 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.206 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -59.22 -36.86 76.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.039 0.447 . . . . 0.0 110.513 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' CB ' HD11 ' A' ' 6' ' ' LEU . 7.0 m-20 -63.63 -38.94 93.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.502 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD22 HD13 ' A' ' 6' ' ' LEU . 73.4 mt -55.65 -31.58 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.739 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -50.88 -35.85 34.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.024 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.09 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.6 -39.02 74.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.41 ' HB2' HG12 ' B' ' 18' ' ' VAL . 37.7 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 120.94 0.4 . . . . 0.0 110.396 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.616 ' HH ' HG23 ' A' ' 18' ' ' THR . 51.5 p90 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.26 159.25 31.0 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.094 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.425 HG22 ' N ' ' B' ' 8' ' ' ARG . 7.2 p -143.13 149.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.425 ' N ' HG22 ' B' ' 7' ' ' VAL . 22.7 mmt85 -70.69 116.85 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.737 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 45.7 mt -132.7 131.67 41.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -141.05 144.01 34.71 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.911 0.386 . . . . 0.0 111.682 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.53 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 57.23 -138.12 48.33 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.723 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.61 ' NH1' HG21 ' B' ' 15' ' ' ILE . 25.9 tpt180 -61.3 -26.74 67.99 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 122.137 0.175 . . . . 0.0 111.194 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -64.55 -42.61 95.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.737 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 43.6 t80 -63.86 -43.02 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.751 HD12 ' HZ3' ' B' ' 27' ' ' TRP . 46.5 mm -56.85 -48.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.409 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 39.0 mtm105 -61.36 -35.4 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.074 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.75 83.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.826 0.346 . . . . 0.0 110.283 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 24' ' ' CYS . 65.0 t -65.48 -43.98 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.507 HD12 ' CE2' ' B' ' 27' ' ' TRP . 8.8 mm -68.4 -34.86 68.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.952 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -39.9 83.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -62.85 -41.68 99.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.735 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 10.7 m -81.99 -23.15 36.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.201 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.56 37.32 40.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.76 139.9 8.35 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -152.92 -87.0 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.637 0.719 . . . . 0.0 112.403 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -142.4 18.93 2.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.394 0.14 . . . . 0.0 110.706 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.751 ' HZ3' HD12 ' B' ' 15' ' ' ILE . 2.3 p-90 . . . . . 0 C--O 1.254 1.338 0 CA-C-O 118.841 -0.6 . . . . 0.0 109.576 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 6.8 t70 . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 121.484 0.659 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 1.6 mm? -68.09 -58.07 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -90.9 -59.41 2.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.5 m -48.5 -53.1 19.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.565 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 11.0 mp -71.82 -29.23 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.666 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 28.4 t -59.14 -40.32 85.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.0 0.429 . . . . 0.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m -68.02 -25.65 65.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.165 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -82.42 -49.03 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.374 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.29 -70.34 0.79 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.94 138.08 2.33 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.58 ' SG ' HD12 ' B' ' 9' ' ' LEU . 7.9 p -107.94 144.1 35.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.43 . . . . 0.0 111.841 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -83.64 145.41 28.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttp -56.24 -36.35 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.282 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.616 HG23 ' HH ' ' B' ' 5' ' ' TYR . 12.1 p -61.7 -40.02 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.309 0.576 . . . . 0.0 111.276 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.69 -40.21 94.99 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.243 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' N ' HD13 ' A' ' 20' ' ' LEU . 8.3 mp -58.06 -33.78 69.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.926 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -53.12 -33.62 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.96 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 6' ' ' LEU . 96.5 mt -69.62 -36.28 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.725 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 48.7 t . . . . . 0 C--O 1.239 0.53 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.8 p90 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.57 134.6 2.94 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.112 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.453 HG21 HD21 ' B' ' 9' ' ' LEU . 5.9 p -80.29 137.3 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 110.238 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -82.5 117.62 22.64 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.155 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.626 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 12.5 mt -116.74 136.12 53.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.2 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.46 144.19 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.165 0.507 . . . . 0.0 112.042 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.493 ' O ' HD12 ' B' ' 15' ' ' ILE . . . 48.72 -122.3 8.9 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.435 -0.802 . . . . 0.0 114.609 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.455 ' CD ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -55.98 -44.56 78.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.093 -0.553 . . . . 0.0 111.273 -179.196 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.424 ' OE2' ' HB2' ' B' ' 12' ' ' ARG . 2.7 mp0 -60.56 -40.83 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.554 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.626 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 15.3 t80 -61.55 -53.48 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.946 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.493 HD12 ' O ' ' B' ' 11' ' ' GLY . 1.7 mp -59.56 -42.41 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.079 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.852 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 0.9 OUTLIER -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 -178.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.58 80.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.785 0.326 . . . . 0.0 111.41 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.756 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 99.2 t -63.56 -42.01 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.449 HG13 HH21 ' B' ' 16' ' ' ARG . 16.1 mm -74.27 -36.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.387 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -38.86 70.03 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 109.186 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -62.64 -37.29 85.77 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.285 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 18.1 m -85.95 -9.45 56.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.381 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.67 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.129 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.2 63.52 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -60.62 -46.78 88.99 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -170.8 -45.75 0.02 OUTLIER 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.299 -0.56 . . . . 0.0 112.421 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 . . . . . 0 C--O 1.251 1.179 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 -178.056 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--O 1.222 -0.349 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 19' ' ' ASP . 13.9 tp -66.98 -58.51 4.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.084 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.413 ' HG2' ' CE2' ' B' ' 14' ' ' PHE . 8.4 tm0? -68.43 -54.84 14.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.327 0.584 . . . . 0.0 111.854 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -66.29 -47.19 74.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.583 ' HG ' ' HB ' ' A' ' 12' ' ' THR . 1.4 tp -84.46 23.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.92 -29.51 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.752 -0.593 . . . . 0.0 109.945 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.0 m -81.17 -40.51 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.736 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.583 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 3.0 m -84.05 -45.49 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -89.26 -50.23 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.724 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.88 131.16 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' O ' HG11 ' B' ' 7' ' ' VAL . 56.5 m -120.75 137.12 54.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.199 0.523 . . . . 0.0 112.202 -178.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.438 ' O ' HD22 ' A' ' 20' ' ' LEU . 37.7 t -86.85 163.56 17.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.57 -34.82 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 109.98 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.648 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 6' ' ' LEU . 25.2 m-20 -64.15 -44.98 90.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.262 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.756 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 0.5 OUTLIER -64.82 -29.55 70.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.197 -179.78 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.3 m -53.97 -40.33 66.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.59 73.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.915 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.97 -42.4 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HB2' HG12 ' B' ' 18' ' ' VAL . 9.3 t . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.957 0.408 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 p90 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.16 140.2 6.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.342 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.83 143.43 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.705 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 59.8 mtt85 -73.56 121.81 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.798 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.4 mt -125.67 134.46 51.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.823 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . 0.415 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 73.0 m -140.1 146.85 39.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.795 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.15 -128.97 45.15 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.977 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 2.4 mtm180 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.467 -0.366 . . . . 0.0 111.204 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 10' ' ' CYS . 1.1 mm-40 -61.67 -41.29 97.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.798 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.5 t80 -59.81 -53.58 56.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.201 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -62.68 -41.3 91.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -60.67 -44.65 96.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.54 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.41 80.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.825 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 87.9 t -66.51 -45.12 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.466 HG22 ' OXT' ' B' ' 27' ' ' TRP . 8.1 mm -67.5 -34.51 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.071 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -45.19 86.78 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.6 m -67.2 -35.63 80.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.376 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.99 -30.13 71.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.841 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.05 -33.17 0.87 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.283 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.59 53.01 37.88 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.641 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -153.89 -47.05 0.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtt85 -64.78 -29.84 70.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.03 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.466 ' OXT' HG22 ' B' ' 19' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.874 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.664 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.994 0.426 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.584 HD23 ' HG ' ' A' ' 23' ' ' LEU . 13.5 tp -97.54 -24.23 15.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.968 0.413 . . . . 0.0 110.314 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -92.8 -60.56 1.78 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.473 0.654 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -72.04 -50.72 26.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 28.3 mt -56.97 -15.94 5.95 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 87.0 m -62.92 -38.89 92.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.65 -38.6 28.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.157 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -62.34 -47.71 83.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.929 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.705 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 42.9 t0 -135.71 -54.2 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.787 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.37 161.3 10.12 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.004 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.6 m -136.97 139.99 41.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.487 ' O ' HD11 ' A' ' 20' ' ' LEU . 42.8 t -89.89 156.78 18.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.265 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -57.6 -31.36 66.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -59.94 -42.21 93.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.379 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -67.95 -42.41 80.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.674 0.75 . . . . 0.0 109.283 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 16' ' ' SER . 6.2 mp -60.46 -29.23 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.598 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 m -56.97 -30.96 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.459 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.79 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.49 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' HD23 ' A' ' 6' ' ' LEU . 98.4 mt -74.64 -36.64 62.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 111.113 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 20.4 p90 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.99 134.3 2.99 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.183 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 8' ' ' ARG . 7.3 p -93.18 145.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.48 ' N ' HG23 ' B' ' 7' ' ' VAL . 14.6 mmt85 -72.26 116.74 13.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.954 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 72.9 mt -132.6 137.23 46.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -142.24 146.02 34.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.001 0.429 . . . . 0.0 111.447 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.95 -136.3 45.72 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.561 -0.745 . . . . 0.0 114.405 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 0.0 OUTLIER -68.99 -25.66 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.153 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -64.64 -38.62 91.61 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.954 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 1.6 t80 -61.71 -47.9 83.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.82 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.76 HG22 HD12 ' B' ' 19' ' ' ILE . 60.8 mt -58.77 -37.72 67.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.391 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 57.3 mtt180 -55.33 -46.97 76.32 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 121.276 -0.17 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.68 91.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.249 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 20' ' ' LEU . 66.7 t -62.55 -43.57 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.923 0.868 . . . . 0.0 108.993 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.76 HD12 HG22 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -65.98 -46.58 87.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.2 -47.49 75.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.788 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.516 HG23 ' HG ' ' A' ' 21' ' ' SER . 24.0 m -66.87 -33.79 76.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 t -73.06 -42.06 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.235 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.58 -47.42 1.04 Allowed Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.591 ' HA2' ' HZ2' ' B' ' 27' ' ' TRP . . . 158.05 146.35 4.49 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.105 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.9 p -168.54 -99.95 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.712 0.256 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' B' ' 27' ' ' TRP . 6.9 tpp180 -150.36 115.28 5.31 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.347 0.594 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.591 ' HZ2' ' HA2' ' B' ' 24' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.355 0 CA-C-N 114.44 -1.255 . . . . 0.0 108.989 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.542 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 24.5 t70 . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 15' ' ' CYS . 2.6 mm? -61.77 -42.17 98.64 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.283 0.563 . . . . 0.0 110.292 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -84.71 -50.88 7.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.445 0.641 . . . . 0.0 110.694 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 m -77.23 -70.35 0.47 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 9.0 mp -63.29 -26.29 68.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.2 t -54.91 -36.45 65.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 118.181 0.446 . . . . 0.0 112.165 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -74.15 -24.67 59.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.148 0.499 . . . . 0.0 109.716 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 m -83.47 -50.89 7.84 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.845 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.89 -65.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.692 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.1 -179.36 39.71 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' HB2' HD12 ' A' ' 6' ' ' LEU . 21.9 p -157.03 134.29 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 110.098 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -82.15 144.16 30.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.305 -178.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.507 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.1 mpp? -57.31 -32.96 67.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.626 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 p -60.06 -44.45 94.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.417 0.627 . . . . 0.0 111.16 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.8 -34.87 76.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 16' ' ' SER . 64.6 mt -62.89 -35.56 80.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.084 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.516 ' HG ' HG23 ' B' ' 21' ' ' THR . 18.8 m -49.19 -37.74 23.67 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.16 -36.35 82.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 p90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.638 0.256 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.65 145.24 9.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.927 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -94.16 148.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -70.49 113.92 8.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.676 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 48.2 mt -134.46 140.1 45.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 95.6 m -144.59 160.57 40.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 111.881 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.57 -125.46 3.45 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 114.933 -1.031 . . . . 0.0 115.614 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -69.5 -33.2 72.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.793 -0.703 . . . . 0.0 111.647 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.3 mp0 -62.82 -43.07 99.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.42 0.628 . . . . 0.0 109.306 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.676 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 20.4 t80 -61.12 -52.87 63.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.511 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 31.3 mt -61.63 -36.32 72.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -37.14 86.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.005 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -66.89 -33.55 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.753 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.48 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 87.6 t -63.58 -42.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.873 HG22 ' HB2' ' B' ' 27' ' ' TRP . 11.3 mm -70.26 -33.82 56.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.178 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.403 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.0 OUTLIER -58.3 -44.66 88.66 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 17' ' ' MET . 21.2 m -67.9 -35.87 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.754 178.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -5.27 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.031 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.37 68.3 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 113.143 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.86 49.2 72.67 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.439 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 20.1 p -64.46 -35.44 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 24.9 ptt-85 -167.2 44.65 0.05 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.873 ' HB2' HG22 ' B' ' 19' ' ' ILE . 36.5 m95 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.488 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.766 ' HA ' HD11 ' A' ' 9' ' ' LEU . 11.3 p-10 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.996 0.427 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.633 HD23 ' HG ' ' A' ' 23' ' ' LEU . 20.4 tp -86.82 -50.48 6.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.703 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.11 -57.17 2.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 112.069 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.6 m -52.96 -51.25 62.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.008 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 5' ' ' ASP . 10.6 mp -70.52 -22.17 62.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 111.399 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 10.9 t -68.61 -36.46 78.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.166 0.508 . . . . 0.0 110.037 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.2 m -68.09 -35.36 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.883 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -80.78 -59.09 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -55.13 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.47 159.22 8.63 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.644 -1.265 . . . . 0.0 113.276 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 20' ' ' LEU . 19.9 p -129.8 139.54 51.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.815 0.34 . . . . 0.0 110.126 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 20' ' ' LEU . 37.6 t -76.5 144.28 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.147 0.498 . . . . 0.0 111.267 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.42 ' O ' HG21 ' B' ' 21' ' ' THR . 31.2 ttm -55.72 -42.98 76.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.404 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.2 p -58.11 -42.58 86.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.743 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.93 -35.11 80.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.715 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.55 HD11 ' SG ' ' A' ' 15' ' ' CYS . 6.1 mp -55.96 -34.42 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.326 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -50.19 -31.1 12.87 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.76 84.45 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.633 ' HG ' HD23 ' A' ' 6' ' ' LEU . 61.5 mt -68.17 -40.58 82.25 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.871 0.367 . . . . 0.0 110.937 -179.567 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.8 p90 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.02 137.14 4.54 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.476 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.32 141.93 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 10' ' ' CYS . 34.3 ttm180 -75.54 125.61 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -135.13 140.54 45.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.65 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -144.63 173.19 12.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.085 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.419 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 47.98 -134.32 17.18 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.829 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.067 -0.567 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.16 -45.91 91.33 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.402 ' HZ ' ' HB3' ' A' ' 6' ' ' LEU . 28.8 t80 -62.24 -48.97 77.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.778 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 11' ' ' GLY . 50.8 mm -57.62 -43.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.079 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.513 ' NE ' ' HA ' ' B' ' 16' ' ' ARG . 4.7 mmp_? -66.46 -40.92 89.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.247 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.19 86.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.726 0.298 . . . . 0.0 111.314 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.73 -43.43 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.509 0.671 . . . . 0.0 109.32 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.42 HD12 ' CE2' ' B' ' 27' ' ' TRP . 6.0 mm -72.11 -35.51 53.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.639 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -47.59 82.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 17' ' ' MET . 30.4 m -67.54 -33.78 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.149 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.65 -28.17 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.865 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.39 16.89 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.059 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.9 53.16 44.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.215 -0.517 . . . . 0.0 113.159 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -65.53 -35.4 80.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 24.97 0.11 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.263 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.454 ' CD1' ' N ' ' B' ' 27' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.493 -1.242 . . . . 0.0 109.187 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.6 t0 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.4 0.619 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.7 mm? -64.93 -41.52 95.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.15 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -80.84 -39.72 26.1 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.632 0.73 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.2 m -89.08 -68.13 0.79 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.96 -36.21 67.57 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 81.0 m -59.32 -35.0 73.01 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.18 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 17.1 m -81.26 -27.77 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.958 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -78.37 -48.73 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.068 0.461 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.41 -71.32 0.74 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.249 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' B' ' 8' ' ' ARG . . . 154.82 164.86 13.36 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -141.72 158.88 43.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.814 0.807 . . . . 0.0 111.746 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.2 t -84.41 158.92 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.986 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.498 ' HA ' ' HE2' ' A' ' 17' ' ' MET . 20.3 mmt -60.51 -33.28 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 p -61.81 -37.35 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.07 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 6' ' ' LEU . 53.4 m-20 -63.43 -47.29 82.54 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.577 0.703 . . . . 0.0 109.627 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.3 -31.19 70.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.033 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -54.13 -33.12 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.95 90.23 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.96 -40.38 91.25 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 -179.485 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 p90 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . 0.507 ' HA2' ' OG ' ' A' ' 16' ' ' SER . . . -175.16 125.55 1.09 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.451 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.454 HG11 ' SD ' ' A' ' 17' ' ' MET . 7.2 p -87.74 138.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -89.21 121.17 31.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.675 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.0 mt -131.92 141.76 49.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.618 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.19 163.7 29.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.901 0.382 . . . . 0.0 111.659 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.29 -121.41 0.83 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.527 ' O ' HG23 ' B' ' 15' ' ' ILE . 16.7 mmp_? -71.42 -32.95 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.869 -0.666 . . . . 0.0 111.569 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.1 mp0 -62.47 -43.28 99.2 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.675 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 37.5 t80 -59.17 -55.83 29.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.671 ' O ' HD11 ' B' ' 19' ' ' ILE . 10.3 tp -61.99 -39.47 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.494 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.639 ' NH2' HG12 ' B' ' 19' ' ' ILE . 5.2 mmp_? -65.6 -37.75 87.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.966 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.35 77.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.738 0.304 . . . . 0.0 110.468 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.568 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 88.2 t -63.89 -43.22 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.671 HD11 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -66.99 -43.4 89.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.727 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.62 -48.5 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.542 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.7 m -66.2 -36.91 84.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.518 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.93 -39.58 87.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.76 -22.98 4.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.582 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.407 ' HA2' ' OXT' ' B' ' 27' ' ' TRP . . . 68.73 32.89 74.74 Favored Glycine 0 C--O 1.229 -0.206 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.785 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -98.44 32.91 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.897 0.38 . . . . 0.0 111.252 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -172.29 -33.88 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.41 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.505 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.429 -0.805 . . . . 0.0 108.982 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 7.6 t70 . . . . . 0 C--O 1.224 -0.241 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 19' ' ' ASP . 38.3 tp -64.06 -47.61 79.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.302 0.572 . . . . 0.0 109.811 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 7.7 tt0 -80.02 -55.72 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 m -67.59 -52.31 40.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.0 mp -81.69 35.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 51.1 t -81.83 -35.57 29.27 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -68.68 -35.73 77.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.18 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -73.9 -55.78 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -67.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.798 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.08 134.22 1.73 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.798 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 6.0 p -93.52 -24.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.843 -0.21 . . . . 0.0 111.485 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.702 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.8 m 68.94 142.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.556 0.693 . . . . 0.0 112.239 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.507 ' HA ' HD12 ' A' ' 20' ' ' LEU . 2.3 mpp? -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.789 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -51.34 -47.84 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.702 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.429 ' HB3' HD12 ' A' ' 6' ' ' LEU . 14.9 m-20 -68.85 -35.57 77.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.437 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 16' ' ' SER . 71.1 mt -55.13 -32.11 61.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.751 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -52.32 -40.75 62.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.1 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.41 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.453 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 42.7 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.461 . . . . 0.0 110.638 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 54.4 p90 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.8 144.62 8.88 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.908 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.4 148.23 8.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.7 0.286 . . . . 0.0 110.236 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.83 121.62 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.994 0.426 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.52 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 56.0 mt -125.88 127.99 46.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 83.5 m -138.32 143.74 40.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.518 ' O ' HD12 ' B' ' 15' ' ' ILE . . . 48.36 -130.19 20.0 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.274 -0.875 . . . . 0.0 114.807 178.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 24.6 mtm180 -52.28 -40.8 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.421 0.688 . . . . 0.0 111.606 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -60.65 -44.75 96.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.5 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.52 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 14.2 t80 -62.83 -48.72 77.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.56 ' O ' HD11 ' B' ' 19' ' ' ILE . 1.8 mp -60.11 -46.21 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.487 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.421 ' NH2' HG12 ' B' ' 19' ' ' ILE . 1.0 OUTLIER -63.8 -36.58 84.38 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.326 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.34 90.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.771 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.4 t -63.84 -42.08 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.56 HD11 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -64.95 -40.94 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.429 -1.26 . . . . 0.0 109.696 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.98 -36.28 74.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.838 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -64.43 -32.59 74.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.738 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 60.1 m -74.21 -11.07 60.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.546 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.29 27.18 73.15 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.557 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 54.8 30.33 52.28 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.9 m -95.18 27.95 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.626 0.251 . . . . 0.0 111.649 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 53.0 ttp85 -176.21 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.539 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.176 -1.392 . . . . 0.0 109.56 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 109.919 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' HB3' ' H ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -78.04 -91.38 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 178.557 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 38.9 tt0 -52.26 -55.67 19.77 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -57.74 -39.53 77.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.7 mp -95.56 17.58 14.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.7 m -72.31 -44.88 62.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.6 m -81.94 -38.23 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -48.89 54.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.854 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -109.19 -68.65 0.9 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.196 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.86 137.86 2.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.183 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 89.7 m -120.03 140.5 50.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.171 0.51 . . . . 0.0 111.386 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 t -110.37 161.33 15.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.025 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -24.33 65.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.255 0.55 . . . . 0.0 110.108 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -62.33 -43.65 98.33 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' HB3' HD23 ' A' ' 6' ' ' LEU . 1.3 m-20 -75.38 -40.75 57.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 110.519 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.86 -23.34 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -53.65 -40.04 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.54 88.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 -32.2 67.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.359 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.819 179.345 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 32.2 p90 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.51 150.36 9.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.64 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.421 HG23 HD23 ' B' ' 9' ' ' LEU . 4.0 p -134.82 142.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -71.11 108.55 4.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.717 0.294 . . . . 0.0 111.214 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.544 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 40.6 mt -133.73 131.12 39.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.67 164.32 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.999 0.428 . . . . 0.0 111.674 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.533 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 55.22 -137.98 43.84 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.444 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.97 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -65.31 -42.04 93.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.349 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 7' ' ' GLN . 32.9 t80 -62.82 -46.15 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.489 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 11' ' ' GLY . 10.9 mm -59.17 -45.54 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.299 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.525 ' HA ' ' HD3' ' B' ' 16' ' ' ARG . 14.0 mmt180 -64.23 -38.57 91.51 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.25 90.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.728 0.299 . . . . 0.0 110.947 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.405 HG23 ' HG ' ' A' ' 20' ' ' LEU . 86.8 t -66.54 -43.88 90.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.532 0.682 . . . . 0.0 109.38 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.512 HG13 ' CG ' ' B' ' 27' ' ' TRP . 10.6 mm -70.51 -34.48 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.715 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -46.43 87.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 17' ' ' MET . 34.8 m -68.92 -35.84 77.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.149 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.12 -26.48 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.604 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.11 37.61 6.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.776 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.71 53.65 36.71 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 3.7 p -58.24 -47.77 82.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -173.34 37.84 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.201 0.524 . . . . 0.0 111.248 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.512 ' CG ' HG13 ' B' ' 19' ' ' ILE . 7.0 m95 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.48 ' HA ' HD11 ' A' ' 9' ' ' LEU . 1.7 p-10 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 121.294 0.569 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 56.2 tp -77.46 -76.33 0.18 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.308 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 50.3 tt0 -69.96 -58.27 4.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.6 m -54.36 -48.86 70.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.908 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 5' ' ' ASP . 92.5 mt -94.2 25.32 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 29.7 t -73.94 -37.6 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.797 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.78 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.429 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -75.45 -58.98 2.95 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -106.03 -61.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.214 0.53 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.65 134.91 2.83 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.095 -1.05 . . . . 0.0 112.614 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.646 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 9.5 p -96.5 129.7 43.81 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.266 0.555 . . . . 0.0 110.749 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.503 ' HB3' ' CZ ' ' B' ' 5' ' ' TYR . 1.4 m -69.93 133.45 47.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.269 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.55 ' O ' HG23 ' B' ' 21' ' ' THR . 4.4 ppp? -63.14 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.716 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -60.96 -38.95 87.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.307 0.575 . . . . 0.0 110.019 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.92 -35.41 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.833 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 16' ' ' SER . 4.3 mp -57.45 -26.56 61.38 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.278 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -53.74 -38.55 64.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 111.467 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.83 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.053 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 23' ' ' LEU . 90.4 mt -63.97 -38.79 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.634 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.331 179.626 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' SER . 32.6 p90 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 138.85 5.89 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 119.516 -1.326 . . . . 0.0 113.16 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -112.96 145.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' B' ' 8' ' ' ARG . 20.7 mmt85 -75.81 107.07 7.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.036 0.446 . . . . 0.0 111.143 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.498 HD13 ' SG ' ' A' ' 15' ' ' CYS . 49.5 mt -120.57 130.76 54.34 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 m -129.71 133.37 47.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.0 112.419 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.412 ' O ' HD11 ' B' ' 15' ' ' ILE . . . 51.41 -123.72 19.74 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.003 -0.999 . . . . 0.0 114.647 178.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.544 ' HA ' ' HE ' ' B' ' 12' ' ' ARG . 4.6 tpm_? -50.22 -41.57 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.434 0.694 . . . . 0.0 112.409 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.57 -38.69 92.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.377 0.423 . . . . 0.0 111.611 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 22.1 t80 -59.18 -47.04 86.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.412 HD11 ' O ' ' B' ' 11' ' ' GLY . 1.9 mp -60.92 -45.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.934 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -62.04 -42.34 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.726 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.83 81.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.407 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.454 HG23 ' HG ' ' A' ' 20' ' ' LEU . 93.3 t -65.93 -44.38 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.445 HG23 ' O ' ' B' ' 27' ' ' TRP . 6.2 mm -69.8 -39.65 78.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.424 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.37 -48.01 74.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.255 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.561 HG21 ' O ' ' A' ' 17' ' ' MET . 21.7 m -70.62 -34.8 72.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.267 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.94 -27.01 67.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.39 78.03 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.95 36.75 89.46 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.298 -0.451 . . . . 0.0 112.309 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -114.72 -32.99 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.851 0.358 . . . . 0.0 110.455 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.445 ' O ' HG23 ' B' ' 19' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.257 1.457 0 CA-C-O 117.047 -1.454 . . . . 0.0 107.963 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 6.5 p-10 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 121.02 0.438 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 48.4 tp -70.3 -66.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.747 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -76.82 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 112.138 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -58.34 -52.75 64.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.118 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -94.98 34.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -69.86 -37.46 76.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.499 0.666 . . . . 0.0 109.686 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.16 -31.29 65.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -84.39 -50.06 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -106.79 -63.46 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.17 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.18 143.05 3.74 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.679 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 29.2 p -127.58 143.96 51.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' B' ' 5' ' ' TYR . 12.1 t -82.99 141.61 31.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.561 ' O ' HG21 ' B' ' 21' ' ' THR . 62.6 mtm -65.73 -32.92 74.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -65.85 -40.89 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 109.763 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD1' ' HB3' ' A' ' 16' ' ' SER . 1.1 m-20 -67.04 -36.82 82.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.627 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 HD11 ' SG ' ' A' ' 15' ' ' CYS . 4.8 mp -62.02 -28.43 69.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.405 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -56.39 -40.43 74.6 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.921 0.391 . . . . 0.0 110.527 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.15 -34.23 74.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.993 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 23' ' ' LEU . 95.9 mt -63.56 -35.42 80.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.426 179.688 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 16' ' ' SER . 26.0 t80 . . . . . 0 N--CA 1.444 -0.745 0 CA-C-O 121.086 0.47 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.47 121.74 1.01 Allowed Glycine 0 N--CA 1.435 -1.401 0 C-N-CA 120.244 -0.979 . . . . 0.0 112.968 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.419 HG13 HD21 ' B' ' 9' ' ' LEU . 5.4 p -108.68 142.39 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.676 ' CZ ' ' HA ' ' A' ' 13' ' ' ASP . 56.2 mtt85 -65.94 120.93 13.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.162 0.505 . . . . 0.0 111.314 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.825 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 39.3 mt -127.91 124.26 36.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.855 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 58.2 m -136.4 144.41 44.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.178 0.513 . . . . 0.0 112.269 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.22 -126.9 37.74 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.938 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.496 ' O ' ' HD2' ' B' ' 12' ' ' ARG . 6.8 tmm_? -59.35 -39.9 84.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.976 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.19 -41.76 99.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.93 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.825 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.6 t80 -58.17 -53.7 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.285 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.53 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.586 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.667 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 3.4 tpm_? -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -61.39 -36.35 80.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.579 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 84.2 t -62.52 -41.07 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.635 HG13 HH21 ' B' ' 16' ' ' ARG . 11.4 mm -70.25 -37.93 72.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.127 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.408 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.2 m-85 -54.79 -39.68 68.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.481 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.638 HG23 ' HG ' ' A' ' 21' ' ' SER . 94.2 m -63.64 -41.99 98.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.65 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . 0.434 ' HB3' ' OG ' ' B' ' 25' ' ' SER . 2.6 m -74.58 -32.06 62.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.447 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.32 37.37 11.06 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.067 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.84 48.47 83.64 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.491 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' B' ' 22' ' ' CYS . 1.1 m -74.21 0.86 12.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG3' ' HD1' ' B' ' 27' ' ' TRP . 2.9 ptt-85 -170.09 -36.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.441 ' O ' HG21 ' B' ' 19' ' ' ILE . 6.6 p-90 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 117.085 -1.436 . . . . 0.0 108.764 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.74 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 5.8 t70 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 23' ' ' LEU . 12.9 tp -63.42 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -91.98 -46.98 7.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.446 0.641 . . . . 0.0 110.906 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.9 m -85.49 -69.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.74 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mm? -52.03 -31.76 31.21 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 66.1 m -59.72 -34.47 72.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.89 -36.03 25.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.482 0.658 . . . . 0.0 109.504 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -64.91 -43.72 91.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.709 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.676 ' HA ' ' CZ ' ' B' ' 8' ' ' ARG . 38.8 t70 -137.83 -47.54 0.55 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' A' ' 10' ' ' CYS . . . -179.09 156.82 19.54 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 118.666 -1.73 . . . . 0.0 114.484 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.625 ' SG ' HD21 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -138.86 141.69 38.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.368 -0.416 . . . . 0.0 111.169 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.2 t -98.51 147.63 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.2 mtm -63.09 -36.86 84.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -61.47 -35.66 78.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.76 -43.26 72.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.061 0.458 . . . . 0.0 109.853 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.625 HD21 ' SG ' ' A' ' 15' ' ' CYS . 86.8 mt -54.07 -32.31 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.818 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.638 ' HG ' HG23 ' B' ' 21' ' ' THR . 14.8 m -53.14 -33.38 52.17 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.686 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.61 92.76 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 6' ' ' LEU . 93.3 mt -69.87 -39.09 76.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.547 ' HB2' HG11 ' B' ' 18' ' ' VAL . 40.3 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 16' ' ' SER . 43.4 p90 . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.78 155.68 26.81 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.482 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.408 HG11 HD22 ' B' ' 9' ' ' LEU . 7.6 p -133.54 150.19 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -68.17 120.53 14.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.583 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 33.8 mt -134.53 130.85 37.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -141.5 140.67 33.56 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.402 ' O ' HG13 ' B' ' 15' ' ' ILE . . . 47.38 -123.85 8.76 Favored Glycine 0 C--N 1.333 0.41 0 CA-C-N 114.746 -1.115 . . . . 0.0 114.874 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -52.09 -43.91 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.825 -0.688 . . . . 0.0 112.385 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -41.35 91.23 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.244 0.545 . . . . 0.0 110.142 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.465 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 2.3 t80 -59.35 -49.9 76.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.862 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.622 HG21 HH21 ' B' ' 16' ' ' ARG . 58.2 mt -64.0 -39.78 86.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.053 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.622 HH21 HG21 ' B' ' 15' ' ' ILE . 5.4 mmp_? -65.07 -38.66 91.52 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.678 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.62 77.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 24' ' ' CYS . 92.2 t -64.12 -44.45 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 109.377 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.603 HG23 ' HB2' ' B' ' 25' ' ' SER . 13.8 mm -69.95 -40.64 78.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.81 88.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.353 0.597 . . . . 0.0 109.567 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.503 ' OG1' ' HB2' ' A' ' 17' ' ' MET . 24.6 m -71.07 -33.14 69.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.425 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.04 -39.15 88.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.1 -47.33 1.03 Allowed Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.141 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.13 55.44 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.044 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.603 ' HB2' HG23 ' B' ' 19' ' ' ILE . 1.8 m -64.52 152.93 40.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' B' ' 26' ' ' ARG . 12.0 mmt85 -99.01 51.39 0.96 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.429 ' NE1' ' HB3' ' B' ' 25' ' ' SER . 34.5 p-90 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 117.742 -1.123 . . . . 0.0 109.085 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.722 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.1 mm? -68.64 -32.39 72.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.264 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -86.3 -50.82 6.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.123 0.487 . . . . 0.0 111.447 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 m -90.6 -61.39 1.69 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 tp -55.54 -32.52 63.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.722 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 74.1 m -59.49 -34.35 72.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.869 0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -82.37 -32.34 29.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.069 0.461 . . . . 0.0 110.197 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -71.36 -48.87 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.659 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.24 -66.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.52 153.49 6.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.0 m -137.67 152.43 49.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.464 ' HB2' ' CE2' ' B' ' 5' ' ' TYR . 54.1 p -85.54 163.44 18.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.503 ' HB2' ' OG1' ' B' ' 21' ' ' THR . 0.0 OUTLIER -66.53 -22.92 66.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.263 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 m -65.85 -41.81 91.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.985 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.84 -44.72 96.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.612 0.72 . . . . 0.0 109.948 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.525 ' HB3' HG22 ' B' ' 18' ' ' VAL . 11.3 mp -67.05 -23.09 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.434 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -56.07 -39.21 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.713 0.292 . . . . 0.0 111.602 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -28.21 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.28 -38.89 78.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.538 ' HB2' HG12 ' B' ' 18' ' ' VAL . 23.4 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 27.2 p90 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.22 135.61 4.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.195 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.479 HG22 ' N ' ' B' ' 8' ' ' ARG . 8.2 p -120.14 147.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.479 ' N ' HG22 ' B' ' 7' ' ' VAL . 30.5 mmt-85 -79.13 116.56 19.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.557 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 57.1 mt -129.54 135.11 48.19 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 76.6 m -142.35 156.21 45.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.498 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.432 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 51.65 -139.72 26.76 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.339 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.6 ' HA ' HG12 ' B' ' 15' ' ' ILE . 0.0 OUTLIER -70.34 -18.39 63.08 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -179.695 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.71 -43.24 94.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.557 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 31.5 t80 -61.19 -47.66 85.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.39 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.6 HG12 ' HA ' ' B' ' 12' ' ' ARG . 8.6 mm -58.13 -43.32 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.538 ' NE ' ' HA ' ' B' ' 16' ' ' ARG . 5.8 mmp_? -66.24 -41.53 89.86 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.54 77.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.855 0.36 . . . . 0.0 111.061 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.521 HG21 ' O ' ' B' ' 14' ' ' PHE . 91.3 t -66.21 -44.37 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.497 0.665 . . . . 0.0 109.341 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.533 HG13 ' NH2' ' B' ' 16' ' ' ARG . 31.4 mm -70.2 -34.98 61.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.21 -41.8 89.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 17' ' ' MET . 90.8 m -64.31 -39.4 93.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.851 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' B' ' 25' ' ' SER . 23.3 m -77.29 -6.94 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.436 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.72 42.18 95.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.904 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 54.73 11.92 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.79 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' B' ' 22' ' ' CYS . 3.2 p -57.24 -37.43 72.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -161.28 -40.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.675 -178.112 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 2.2 t70 . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.787 HD22 ' HG ' ' A' ' 23' ' ' LEU . 45.0 tp -58.8 -41.81 87.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.204 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.434 ' HA ' ' CZ ' ' B' ' 14' ' ' PHE . 39.5 tt0 -90.46 -62.64 1.41 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.605 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -65.41 -57.91 7.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.587 HD13 ' HB ' ' A' ' 12' ' ' THR . 15.2 tp -69.78 -4.37 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.7 t -63.59 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.041 -0.412 . . . . 0.0 110.541 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.69 -37.65 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.893 0.377 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.587 ' HB ' HD13 ' A' ' 9' ' ' LEU . 8.0 m -82.15 -58.75 2.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.41 -51.89 4.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.78 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.48 139.16 5.25 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.695 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' HD11 ' B' ' 9' ' ' LEU . 26.9 p -115.6 140.78 48.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.509 . . . . 0.0 110.782 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.41 143.32 32.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.619 -179.192 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.496 ' HA ' HD12 ' A' ' 20' ' ' LEU . 4.6 mpp? -58.86 -39.91 82.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 110.43 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 m -59.25 -41.52 88.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' CB ' HD11 ' A' ' 6' ' ' LEU . 10.4 m-20 -63.81 -37.13 86.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.612 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 17' ' ' MET . 69.2 mt -52.33 -32.21 36.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.471 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -52.68 -28.28 21.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.06 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.82 92.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.787 ' HG ' HD22 ' A' ' 6' ' ' LEU . 78.7 mt -74.79 -41.94 59.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 111.648 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 p90 . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.37 145.65 8.98 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.93 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.32 144.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.653 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 55.3 mtt85 -77.11 124.55 27.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.496 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.675 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 23.2 mt -131.97 128.63 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.221 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 m -140.95 148.83 41.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.196 0.522 . . . . 0.0 111.827 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.18 -133.67 52.59 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.974 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -64.73 -29.18 70.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.352 . . . . 0.0 111.783 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.07 -41.69 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.375 0.607 . . . . 0.0 109.544 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.675 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.1 t80 -61.33 -49.41 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.015 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 46.1 mm -56.92 -44.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.759 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 16' ' ' ARG . 27.8 ttm105 -63.23 -43.88 96.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.135 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.85 78.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 14' ' ' PHE . 81.6 t -65.38 -44.09 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.506 HG22 ' O ' ' B' ' 27' ' ' TRP . 5.7 mm -68.84 -39.41 79.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.053 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.78 -47.99 76.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.34 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 17' ' ' MET . 34.8 m -67.91 -36.36 80.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.057 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -26.45 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.65 25.56 75.51 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.37 35.8 86.46 Favored Glycine 0 CA--C 1.521 0.453 0 CA-C-N 115.322 -0.439 . . . . 0.0 112.406 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -66.77 -40.59 88.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.069 0.462 . . . . 0.0 111.676 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.563 ' NE ' ' HA ' ' B' ' 26' ' ' ARG . 4.4 mmp_? -115.97 -37.96 3.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.506 ' O ' HG22 ' B' ' 19' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.257 1.456 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.835 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.692 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.54 -38.46 91.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.403 0.62 . . . . 0.0 110.419 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -86.46 -46.4 10.24 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.457 0.646 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -82.15 -66.7 0.86 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' HA ' HD11 ' A' ' 9' ' ' LEU . 3.4 mm? -51.93 -38.85 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.2 m -59.66 -34.91 73.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.0 t -85.13 -39.57 17.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.938 0.399 . . . . 0.0 110.329 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -66.71 -45.06 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.653 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 35.5 t0 -132.98 -46.8 0.85 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.879 0.371 . . . . 0.0 111.45 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.19 167.9 11.09 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.32 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -157.41 158.85 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 t -73.42 155.9 38.83 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.446 ' O ' HG22 ' B' ' 21' ' ' THR . 0.1 OUTLIER -59.88 -33.11 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -54.06 -38.66 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.788 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.06 -40.16 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.638 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' HG ' HG21 ' B' ' 18' ' ' VAL . 9.2 mp -58.71 -36.72 74.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.734 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -54.81 -33.01 61.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 6' ' ' LEU . 74.3 mt -71.18 -35.83 71.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.432 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.619 -179.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' SER . 49.5 p90 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.08 132.59 2.71 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.237 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.83 145.0 10.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -75.74 113.74 13.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.048 0.451 . . . . 0.0 110.477 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.829 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 51.5 mt -126.54 137.28 53.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 108.963 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -133.09 136.27 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.1 -121.6 6.32 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.088 -0.96 . . . . 0.0 114.915 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -55.24 -44.29 75.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.801 -0.7 . . . . 0.0 112.307 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.85 -38.89 92.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.897 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.829 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.7 t80 -60.27 -51.02 71.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.561 177.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.521 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.7 mt -63.26 -40.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.581 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.3 mmp_? -62.8 -38.66 91.57 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.208 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.95 88.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.32 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.499 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 94.4 t -62.81 -40.44 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.581 HG13 ' NH2' ' B' ' 16' ' ' ARG . 15.5 mm -69.35 -35.49 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.119 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -43.22 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -72.93 -37.2 67.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.416 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.19 -37.07 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.169 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.44 -5.63 35.62 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.351 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 61.94 36.77 93.32 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.421 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.04 30.24 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 63.8 ttp180 -173.82 -35.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.156 0.503 . . . . 0.0 110.467 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.498 ' O ' HG23 ' B' ' 19' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 116.983 -1.484 . . . . 0.0 108.722 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.797 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 32.8 p-10 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.19 0.519 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 36.2 tp -66.92 -58.41 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.701 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' B' ' 14' ' ' PHE . 7.5 tt0 -89.58 -59.68 2.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.368 0.604 . . . . 0.0 111.801 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.7 m -57.97 -54.56 45.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.797 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 96.9 mt -93.52 22.6 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -177.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 42.2 t -69.3 -30.71 68.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.43 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -83.86 31.21 0.49 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.499 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -159.71 -57.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.323 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -88.96 -36.91 15.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.575 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.26 128.72 6.18 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.951 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.61 ' SG ' HD12 ' B' ' 9' ' ' LEU . 9.7 p -100.65 145.81 27.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.8 t -82.53 146.93 28.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.046 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 20' ' ' LEU . 56.5 ttp -61.48 -40.01 93.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.675 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 p -61.25 -42.38 98.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.465 0.65 . . . . 0.0 111.018 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 16' ' ' SER . 1.0 OUTLIER -67.11 -32.59 73.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.556 -179.116 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 16' ' ' SER . 80.3 mt -56.81 -32.66 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.709 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.49 -40.63 62.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.442 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.43 80.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.652 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.46 -35.88 81.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.497 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 110.429 179.626 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' TYR . . . . . 0.575 ' HE1' ' H ' ' A' ' 17' ' ' MET . 27.7 p90 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.722 0.296 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.34 139.61 6.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.693 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -117.27 136.51 54.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.912 0.387 . . . . 0.0 110.222 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.83 125.53 26.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.411 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 15' ' ' CYS . 22.2 mt -134.39 137.7 44.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.78 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -140.77 139.08 34.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.823 0.345 . . . . 0.0 111.359 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.434 ' O ' HD13 ' B' ' 15' ' ' ILE . . . 53.24 -126.71 34.51 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.478 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.824 ' HD3' ' H ' ' B' ' 12' ' ' ARG . 0.2 OUTLIER -55.88 -40.5 73.04 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.161 0.585 . . . . 0.0 111.141 -179.007 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -59.19 -42.43 90.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.595 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.662 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.2 t80 -61.1 -49.99 75.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.841 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.458 HG21 ' CE3' ' B' ' 27' ' ' TRP . 1.7 mp -59.4 -44.78 93.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.801 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -65.32 -37.96 88.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.68 87.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 24' ' ' CYS . 87.9 t -65.82 -41.91 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.531 HG13 ' OXT' ' B' ' 27' ' ' TRP . 19.4 mm -69.47 -36.08 69.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.062 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -39.72 73.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' THR . . . . . 0.613 HG23 ' HG ' ' A' ' 21' ' ' SER . 87.0 m -63.34 -38.39 90.98 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.342 178.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 m -83.64 -5.22 59.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.408 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.61 -42.53 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.316 -0.469 . . . . 0.0 112.102 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.18 147.62 8.09 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -157.49 -156.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.102 0.451 . . . . 0.0 110.459 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.566 ' HD2' ' O ' ' B' ' 26' ' ' ARG . 5.6 tmm_? -85.12 -37.79 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' TRP . . . . . 0.531 ' OXT' HG13 ' B' ' 19' ' ' ILE . 2.1 p-90 . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.341 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.422 ' OD1' HD23 ' A' ' 9' ' ' LEU . 7.5 t70 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 122.769 1.271 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 19' ' ' ASP . 53.7 tp -179.87 -78.34 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.971 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 8.0 tt0 -65.05 -48.87 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.298 0.57 . . . . 0.0 110.79 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 m -57.9 -43.58 86.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.003 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.9 pp -93.35 13.89 20.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 0.5 OUTLIER -65.25 -44.69 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -88.16 38.38 0.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.948 0.404 . . . . 0.0 110.662 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -155.36 -54.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.4 ' HB3' HD12 ' A' ' 9' ' ' LEU . 57.9 t0 -104.44 -71.9 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.61 142.17 3.43 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.632 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.756 ' HB2' HD13 ' B' ' 9' ' ' LEU . 68.0 m -89.82 135.81 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.567 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.597 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.8 m -85.98 137.46 32.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.782 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.575 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 56.8 ttp -56.9 -44.4 82.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.271 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -60.39 -42.1 95.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.221 0.534 . . . . 0.0 111.188 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.517 ' HB3' HD22 ' A' ' 6' ' ' LEU . 1.3 m-20 -67.06 -35.08 79.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 15' ' ' CYS . 84.8 mt -59.49 -30.64 68.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.613 ' HG ' HG23 ' B' ' 21' ' ' THR . 15.1 m -55.76 -36.83 67.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.12 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.338 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.6 -37.4 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.571 ' HB2' HG11 ' B' ' 18' ' ' VAL . 32.6 t . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.64 -45.38 13.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.189 0.519 . . . . 0.0 110.13 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.31 144.81 44.25 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.948 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.51 -43.3 59.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.171 2.581 . . . . 0.0 112.992 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -71.52 146.54 48.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.305 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.43 143.2 10.22 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.74 142.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.769 0.318 . . . . 0.0 110.73 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -72.91 113.76 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.093 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.838 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 69.2 mt -127.85 132.24 49.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 39.1 m -142.26 151.7 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.75 0.31 . . . . 0.0 111.017 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.41 -133.06 38.84 Favored Glycine 0 CA--C 1.519 0.284 0 N-CA-C 114.708 0.643 . . . . 0.0 114.708 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.482 ' HD2' ' OE1' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -67.23 -30.14 69.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.213 -179.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.482 ' OE1' ' HD2' ' B' ' 12' ' ' ARG . 52.5 mp0 -63.8 -40.95 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.838 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 7.0 t80 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.045 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.423 HG22 HD12 ' B' ' 15' ' ' ILE . 59.3 mt -61.7 -39.89 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.329 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' B' ' 16' ' ' ARG . 14.6 mmt180 -63.89 -39.11 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.259 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.43 -34.9 79.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.801 0.334 . . . . 0.0 110.687 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.403 HG21 ' O ' ' B' ' 14' ' ' PHE . 60.7 t -65.56 -44.93 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 121.609 0.718 . . . . 0.0 109.09 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.518 HD11 ' HA ' ' B' ' 19' ' ' ILE . 11.4 mm -69.88 -34.0 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.348 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 17' ' ' MET . 33.3 m -67.86 -35.66 78.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.884 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.34 -25.62 68.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.666 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.5 32.66 8.53 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.574 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.65 55.78 25.15 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.67 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -59.57 -50.43 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -173.86 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 111.595 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.506 ' CG ' HG13 ' B' ' 19' ' ' ILE . 32.2 m95 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.73 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 120.505 0.193 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 5.0 p-10 -67.3 -31.67 72.13 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.243 0.544 . . . . 0.0 110.466 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.854 HD22 ' HG ' ' A' ' 23' ' ' LEU . 24.3 tp -73.11 -52.13 15.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.735 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.464 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 7.8 tt0 -90.08 -62.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.426 0.631 . . . . 0.0 112.078 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.73 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 89.6 m -56.06 -57.26 12.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.914 -1.039 . . . . 0.0 113.421 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HG ' ' HB3' ' A' ' 13' ' ' ASP . 26.2 tp -69.34 -14.72 63.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 18.8 t -64.28 -38.5 91.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 111.45 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 t -74.84 -32.05 61.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -83.18 -57.35 3.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.535 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -103.12 -59.8 1.65 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.347 -179.097 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.91 142.19 3.82 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.192 -1.004 . . . . 0.0 112.688 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' HD12 ' B' ' 9' ' ' LEU . 28.6 p -117.61 145.12 44.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -78.18 142.14 38.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.499 ' HA ' HD11 ' A' ' 20' ' ' LEU . 66.1 mtm -59.04 -39.32 81.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.83 0.348 . . . . 0.0 110.196 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -57.77 -41.02 81.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.46 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.33 -39.32 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' ' 17' ' ' MET . 90.2 mt -54.73 -31.32 58.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.561 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -52.11 -33.21 38.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.864 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.71 85.03 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.854 ' HG ' HD22 ' A' ' 6' ' ' LEU . 84.5 mt -68.99 -40.2 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.577 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.97 -14.46 56.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' B' ' 4' ' ' PRO . 36.3 ttm180 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.59 -50.57 3.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.213 0.53 . . . . 0.0 109.943 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.71 151.92 42.77 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.413 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.467 ' O ' ' HD3' ' B' ' 1' ' ' ARG . 7.9 Cg_exo -35.67 -62.33 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.978 3.118 . . . . 0.0 115.319 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.534 ' HE1' ' HA3' ' A' ' 14' ' ' GLY . 7.5 t80 -175.45 149.95 1.06 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.704 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.93 -58.58 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.229 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.471 HG13 HD21 ' B' ' 9' ' ' LEU . 13.2 p -173.94 157.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 117.008 0.404 . . . . 0.0 111.483 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.673 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 54.5 mtt85 -83.54 130.57 35.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.488 HD11 HD22 ' A' ' 20' ' ' LEU . 43.4 mt -136.74 136.87 39.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 64.5 m -139.17 168.37 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.098 0.475 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.35 -146.57 15.34 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.323 -0.853 . . . . 0.0 114.125 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.418 ' H ' ' NE ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -71.07 -12.68 61.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.102 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -68.28 -46.05 71.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 7' ' ' GLN . 34.0 t80 -61.62 -48.16 82.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.44 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.419 ' N ' HD13 ' B' ' 15' ' ' ILE . 1.8 mp -58.35 -47.21 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.451 ' NH2' HG12 ' B' ' 19' ' ' ILE . 1.6 tpm_? -63.33 -39.46 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.486 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.11 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.764 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.586 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 62.1 t -63.15 -42.98 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.522 ' N ' HD13 ' B' ' 19' ' ' ILE . 1.7 mp -65.13 -45.9 92.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.381 -1.282 . . . . 0.0 109.575 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -55.94 -51.63 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.132 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -65.14 -31.76 73.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.015 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 t -69.83 -41.32 75.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.53 -37.36 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.22 56.72 6.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.815 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 23.9 m -150.31 -47.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 0.0 110.604 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.289 0.566 . . . . 0.0 109.726 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.468 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.221 0 CA-C-N 114.726 -1.125 . . . . 0.0 108.017 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.76 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.224 -0.264 0 CA-C-O 120.767 0.318 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.656 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 1.4 t70 -52.86 -27.35 18.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.197 0.522 . . . . 0.0 111.284 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.2 mm? -91.27 -92.09 0.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 65.2 tp60 -42.97 -51.12 5.75 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.76 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 53.8 m -69.8 -60.43 2.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.656 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 27.4 tp -61.31 -41.99 97.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.584 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 79.7 m -60.14 -25.92 65.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.4 t -86.88 -44.96 11.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 m -68.12 -55.27 13.05 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.673 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 37.5 t70 -114.22 -35.36 5.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.293 0.568 . . . . 0.0 110.945 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.584 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.39 -166.64 12.37 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.037 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -173.67 174.97 3.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -80.41 149.16 30.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.416 ' HE1' ' HB2' ' A' ' 17' ' ' MET . 3.6 mpp? -58.11 -35.8 71.98 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 m -61.44 -31.18 71.12 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -59.85 -35.27 74.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.353 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.586 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.4 mp -61.66 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.433 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m -52.81 -31.94 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.07 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 6' ' ' LEU . 54.5 mt -68.31 -30.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 37.2 t -64.71 -27.95 69.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.939 0.399 . . . . 0.0 111.002 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.505 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 14' ' ' GLY . 20.5 mmm180 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 119.924 -0.084 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.34 50.55 1.1 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.997 0.427 . . . . 0.0 111.532 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.94 145.13 1.9 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.85 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.41 -43.24 60.21 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.823 2.348 . . . . 0.0 111.659 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.585 ' HE1' ' H ' ' A' ' 17' ' ' MET . 53.9 p90 -79.02 139.23 38.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.632 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.76 141.33 7.3 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.898 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.6 138.35 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.231 0.539 . . . . 0.0 110.58 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 mmt85 -73.53 120.16 18.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.943 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.864 HD11 ' HB2' ' A' ' 15' ' ' CYS . 35.0 mt -123.94 136.28 54.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.999 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 77.4 m -138.67 136.79 36.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.025 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.05 -120.19 10.43 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 114.92 0.728 . . . . 0.0 114.92 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.548 ' HE ' ' HA ' ' B' ' 12' ' ' ARG . 4.2 tpm_? -57.48 -41.26 80.31 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.121 0.568 . . . . 0.0 112.278 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.83 -42.64 98.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.636 ' CE2' ' HG3' ' A' ' 7' ' ' GLN . 42.4 t80 -58.44 -47.87 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.687 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.616 ' O ' HD13 ' B' ' 19' ' ' ILE . 50.5 mm -60.26 -45.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.988 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -63.16 -38.49 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.352 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.422 ' CB ' HD12 ' B' ' 9' ' ' LEU . . . -65.36 -34.38 78.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.015 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.515 HG21 ' HG ' ' A' ' 20' ' ' LEU . 87.8 t -65.14 -42.9 95.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.616 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.2 mp -64.2 -43.0 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.047 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.93 -36.21 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -61.11 -35.74 77.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 m -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.53 30.72 78.65 Favored Glycine 0 C--N 1.33 0.227 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.0 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.675 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.83 28.19 52.04 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.446 -0.407 . . . . 0.0 112.892 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 42.1 m -92.11 28.32 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 111.267 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -177.08 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.42 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.675 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.071 -1.443 . . . . 0.0 108.426 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.735 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 120.695 0.283 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 13.9 p-10 -59.62 -27.25 66.16 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.991 0.425 . . . . 0.0 110.845 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 19' ' ' ASP . 22.7 tp -81.69 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.707 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.636 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 45.4 tt0 -76.55 -57.24 3.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.268 0.556 . . . . 0.0 112.089 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.735 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 88.8 m -56.9 -47.28 80.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.234 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 9' ' ' LEU . 9.2 mp -93.22 26.74 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.696 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 13.6 t -68.86 -38.58 79.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.27 0.557 . . . . 0.0 109.812 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.532 ' O ' ' HD2' ' B' ' 8' ' ' ARG . 66.7 m -73.47 -22.18 60.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.444 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -87.23 -52.39 5.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.77 -64.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.491 . . . . 0.0 111.182 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.588 ' O ' ' HG2' ' B' ' 1' ' ' ARG . . . 129.74 113.92 1.67 Allowed Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.864 ' HB2' HD11 ' B' ' 9' ' ' LEU . 87.7 m -67.71 147.41 52.69 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.5 ' OG ' ' HB2' ' B' ' 1' ' ' ARG . 16.8 m -120.3 147.19 45.32 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.953 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.585 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 59.5 ttp -53.46 -38.49 63.63 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.273 0.358 . . . . 0.0 111.514 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -48.59 80.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.876 0.37 . . . . 0.0 111.596 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' CG ' ' HB3' ' B' ' 1' ' ' ARG . 1.3 m-20 -64.99 -42.38 94.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.458 0.647 . . . . 0.0 110.28 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 15' ' ' CYS . 7.2 mp -64.68 -24.85 67.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.053 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -56.22 -38.44 71.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.411 . . . . 0.0 110.455 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.14 71.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.993 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.81 -42.64 70.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.6 -26.25 61.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.431 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.486 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . 2.0 ptp85 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.67 130.9 48.5 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.346 0.404 . . . . 0.0 110.37 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.33 164.34 19.87 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.659 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -46.99 -38.71 24.3 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 123.116 2.544 . . . . 0.0 112.747 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 9.1 p90 -139.48 139.54 37.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.312 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.33 150.39 19.54 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.639 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.12 144.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.756 0.312 . . . . 0.0 110.29 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 68.0 mtt85 -80.9 120.33 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.825 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.49 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 49.2 mt -125.79 131.77 52.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.522 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . 0.444 ' O ' ' HB2' ' B' ' 13' ' ' GLU . 1.5 m -152.13 163.94 38.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.755 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.517 ' O ' HD12 ' B' ' 15' ' ' ILE . . . 58.18 -137.7 49.65 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.159 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.783 ' HD3' ' H ' ' B' ' 12' ' ' ARG . 0.1 OUTLIER -64.82 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.758 0.313 . . . . 0.0 110.286 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' B' ' 10' ' ' CYS . 9.3 mp0 -62.04 -45.16 94.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.244 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.49 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 43.2 t80 -60.54 -53.79 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.144 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.524 ' O ' HG12 ' B' ' 19' ' ' ILE . 1.9 mp -59.11 -43.08 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.763 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.79 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 2.0 tpm_? -62.13 -46.61 88.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.028 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.33 88.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.317 0.386 . . . . 0.0 111.676 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.416 HG21 ' O ' ' B' ' 14' ' ' PHE . 96.1 t -65.34 -42.88 94.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.524 HG12 ' O ' ' B' ' 15' ' ' ILE . 6.6 mm -70.61 -34.96 59.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.394 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -68.71 -35.63 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.009 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.53 -20.23 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.46 29.58 26.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.233 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.04 53.92 38.95 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.78 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -53.67 -54.37 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -171.35 53.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.314 0.578 . . . . 0.0 111.015 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.43 ' CG ' HG13 ' B' ' 19' ' ' ILE . 37.4 m95 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.105 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.677 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 120.452 0.167 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.605 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -62.89 -34.04 76.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.978 0.418 . . . . 0.0 110.991 179.405 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.611 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 26.5 tp -66.42 -58.39 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -90.43 -61.85 1.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.677 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 92.7 m -54.81 -52.84 61.44 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.664 HD11 ' HB ' ' A' ' 12' ' ' THR . 22.2 tp -79.02 -6.95 57.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 13.2 t -63.83 -36.68 84.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -43.25 66.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.133 0.492 . . . . 0.0 110.96 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.664 ' HB ' HD11 ' A' ' 9' ' ' LEU . 5.9 m -73.96 -47.51 36.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.397 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.52 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 16.9 t70 -114.1 -65.93 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.638 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.84 153.28 6.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.918 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.5 p -133.7 143.46 48.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.091 0.472 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.545 ' HB3' ' CZ ' ' B' ' 5' ' ' TYR . 17.8 m -80.94 148.07 29.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.511 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.41 ' HG3' ' CE2' ' B' ' 5' ' ' TYR . 4.7 ppp? -61.94 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.206 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -59.22 -36.86 76.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.039 0.447 . . . . 0.0 110.513 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' CB ' HD11 ' A' ' 6' ' ' LEU . 7.0 m-20 -63.63 -38.94 93.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.502 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD22 HD13 ' A' ' 6' ' ' LEU . 73.4 mt -55.65 -31.58 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.739 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -50.88 -35.85 34.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.024 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.09 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.6 -39.02 74.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.41 ' HB2' HG12 ' B' ' 18' ' ' VAL . 37.7 t -80.22 -17.19 52.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.94 0.4 . . . . 0.0 110.396 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.436 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.589 0.233 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.82 140.76 58.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.033 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.14 158.14 31.97 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.784 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -49.7 -39.92 47.13 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.054 2.502 . . . . 0.0 112.276 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.616 ' HH ' HG23 ' A' ' 18' ' ' THR . 51.5 p90 -146.1 141.44 27.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.26 159.25 31.0 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.094 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.425 HG22 ' N ' ' B' ' 8' ' ' ARG . 7.2 p -143.13 149.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.425 ' N ' HG22 ' B' ' 7' ' ' VAL . 22.7 mmt85 -70.69 116.85 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.737 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 45.7 mt -132.7 131.67 41.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -141.05 144.01 34.71 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.911 0.386 . . . . 0.0 111.682 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.53 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 57.23 -138.12 48.33 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.723 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.61 ' NH1' HG21 ' B' ' 15' ' ' ILE . 25.9 tpt180 -61.3 -26.74 67.99 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 122.137 0.175 . . . . 0.0 111.194 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -64.55 -42.61 95.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.737 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 43.6 t80 -63.86 -43.02 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.751 HD12 ' HZ3' ' B' ' 27' ' ' TRP . 46.5 mm -56.85 -48.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.409 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 39.0 mtm105 -61.36 -35.4 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.074 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.75 83.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.826 0.346 . . . . 0.0 110.283 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 24' ' ' CYS . 65.0 t -65.48 -43.98 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.507 HD12 ' CE2' ' B' ' 27' ' ' TRP . 8.8 mm -68.4 -34.86 68.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.952 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -39.9 83.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -62.85 -41.68 99.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.735 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 10.7 m -81.99 -23.15 36.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.201 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.56 37.32 40.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.76 139.9 8.35 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -152.92 -87.0 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.637 0.719 . . . . 0.0 112.403 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -142.4 18.93 2.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.394 0.14 . . . . 0.0 110.706 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.751 ' HZ3' HD12 ' B' ' 15' ' ' ILE . 2.3 p-90 . . . . . 0 C--O 1.254 1.338 0 CA-C-O 118.841 -0.6 . . . . 0.0 109.576 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.724 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.222 -0.347 0 CA-C-O 120.777 0.322 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 6.8 t70 -58.52 -36.11 73.32 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.484 0.659 . . . . 0.0 109.956 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.666 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 1.6 mm? -68.09 -58.07 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -90.9 -59.41 2.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.724 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 53.5 m -48.5 -53.1 19.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.565 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 11.0 mp -71.82 -29.23 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.666 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 28.4 t -59.14 -40.32 85.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.0 0.429 . . . . 0.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m -68.02 -25.65 65.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.165 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -82.42 -49.03 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.374 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.29 -70.34 0.79 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.94 138.08 2.33 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.58 ' SG ' HD12 ' B' ' 9' ' ' LEU . 7.9 p -107.94 144.1 35.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.43 . . . . 0.0 111.841 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -83.64 145.41 28.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttp -56.24 -36.35 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.282 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.616 HG23 ' HH ' ' B' ' 5' ' ' TYR . 12.1 p -61.7 -40.02 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.309 0.576 . . . . 0.0 111.276 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.69 -40.21 94.99 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.243 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' N ' HD13 ' A' ' 20' ' ' LEU . 8.3 mp -58.06 -33.78 69.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.926 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -53.12 -33.62 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.96 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 6' ' ' LEU . 96.5 mt -69.62 -36.28 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.725 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 48.7 t -66.27 -34.33 77.76 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.458 -0.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.434 ' HB2' ' CG ' ' A' ' 13' ' ' ASP . 9.3 mtp85 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.69 45.44 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.444 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . . . -86.8 135.7 35.31 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.567 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 32.4 Cg_exo -59.77 -38.24 81.73 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.968 2.445 . . . . 0.0 111.303 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -148.94 144.52 26.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.034 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.57 134.6 2.94 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.112 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.453 HG21 HD21 ' B' ' 9' ' ' LEU . 5.9 p -80.29 137.3 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 110.238 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -82.5 117.62 22.64 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.155 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.626 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 12.5 mt -116.74 136.12 53.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.2 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.46 144.19 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.165 0.507 . . . . 0.0 112.042 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.493 ' O ' HD12 ' B' ' 15' ' ' ILE . . . 48.72 -122.3 8.9 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.435 -0.802 . . . . 0.0 114.609 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.455 ' CD ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -55.98 -44.56 78.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.093 -0.553 . . . . 0.0 111.273 -179.196 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.424 ' OE2' ' HB2' ' B' ' 12' ' ' ARG . 2.7 mp0 -60.56 -40.83 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.554 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.626 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 15.3 t80 -61.55 -53.48 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.946 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.493 HD12 ' O ' ' B' ' 11' ' ' GLY . 1.7 mp -59.56 -42.41 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.079 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.852 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 0.9 OUTLIER -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 -178.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.58 80.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.785 0.326 . . . . 0.0 111.41 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.756 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 99.2 t -63.56 -42.01 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.449 HG13 HH21 ' B' ' 16' ' ' ARG . 16.1 mm -74.27 -36.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.387 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -38.86 70.03 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 109.186 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -62.64 -37.29 85.77 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.285 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 18.1 m -85.95 -9.45 56.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.381 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.67 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.129 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.2 63.52 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -60.62 -46.78 88.99 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -170.8 -45.75 0.02 OUTLIER 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.299 -0.56 . . . . 0.0 112.421 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 . . . . . 0 C--O 1.251 1.179 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 -178.056 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 121.415 0.626 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -125.5 -50.76 1.63 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.478 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 19' ' ' ASP . 13.9 tp -66.98 -58.51 4.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.084 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.413 ' HG2' ' CE2' ' B' ' 14' ' ' PHE . 8.4 tm0? -68.43 -54.84 14.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.327 0.584 . . . . 0.0 111.854 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -66.29 -47.19 74.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.583 ' HG ' ' HB ' ' A' ' 12' ' ' THR . 1.4 tp -84.46 23.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.92 -29.51 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.752 -0.593 . . . . 0.0 109.945 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.0 m -81.17 -40.51 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.736 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.583 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 3.0 m -84.05 -45.49 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.434 ' CG ' ' HB2' ' B' ' 1' ' ' ARG . 10.6 t70 -89.26 -50.23 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.724 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.88 131.16 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' O ' HG11 ' B' ' 7' ' ' VAL . 56.5 m -120.75 137.12 54.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.199 0.523 . . . . 0.0 112.202 -178.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.438 ' O ' HD22 ' A' ' 20' ' ' LEU . 37.7 t -86.85 163.56 17.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.57 -34.82 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 109.98 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.648 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 6' ' ' LEU . 25.2 m-20 -64.15 -44.98 90.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.262 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.756 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 0.5 OUTLIER -64.82 -29.55 70.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.197 -179.78 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.3 m -53.97 -40.33 66.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.59 73.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.915 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.97 -42.4 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HB2' HG12 ' B' ' 18' ' ' VAL . 9.3 t -79.84 -23.65 41.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.957 0.408 . . . . 0.0 110.619 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.529 -0.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.887 0.375 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.0 -38.55 8.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.04 139.77 73.15 Favored Pre-proline 0 N--CA 1.451 -0.423 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.736 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.53 -49.12 9.55 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.643 2.229 . . . . 0.0 111.902 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -79.84 142.17 35.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.877 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.16 140.2 6.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.342 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.83 143.43 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.705 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 59.8 mtt85 -73.56 121.81 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.798 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.4 mt -125.67 134.46 51.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.823 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . 0.415 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 73.0 m -140.1 146.85 39.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.795 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.15 -128.97 45.15 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.977 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.473 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 2.4 mtm180 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.467 -0.366 . . . . 0.0 111.204 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' B' ' 10' ' ' CYS . 1.1 mm-40 -61.67 -41.29 97.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.798 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.5 t80 -59.81 -53.58 56.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.201 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -62.68 -41.3 91.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -60.67 -44.65 96.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.54 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.41 80.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.825 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 87.9 t -66.51 -45.12 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.466 HG22 ' OXT' ' B' ' 27' ' ' TRP . 8.1 mm -67.5 -34.51 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.071 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -45.19 86.78 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 35.6 m -67.2 -35.63 80.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.376 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 6.1 t -64.99 -30.13 71.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.841 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.05 -33.17 0.87 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.283 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.59 53.01 37.88 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.641 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -153.89 -47.05 0.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtt85 -64.78 -29.84 70.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.03 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.466 ' OXT' HG22 ' B' ' 19' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.874 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.753 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 121.463 0.649 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.664 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -79.86 -37.3 35.24 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.947 179.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.584 HD23 ' HG ' ' A' ' 23' ' ' LEU . 13.5 tp -97.54 -24.23 15.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.968 0.413 . . . . 0.0 110.314 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.545 ' HB3' ' H1 ' ' A' ' 4' ' ' PCA . 7.6 tm0? -92.8 -60.56 1.78 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.473 0.654 . . . . 0.0 111.065 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.753 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 17.9 m -72.04 -50.72 26.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -177.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 28.3 mt -56.97 -15.94 5.95 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 87.0 m -62.92 -38.89 92.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.65 -38.6 28.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.157 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -62.34 -47.71 83.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.929 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.705 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 42.9 t0 -135.71 -54.2 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.787 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.37 161.3 10.12 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.004 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.6 m -136.97 139.99 41.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.487 ' O ' HD11 ' A' ' 20' ' ' LEU . 42.8 t -89.89 156.78 18.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.265 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -57.6 -31.36 66.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -59.94 -42.21 93.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.379 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -67.95 -42.41 80.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.674 0.75 . . . . 0.0 109.283 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD11 ' O ' ' A' ' 16' ' ' SER . 6.2 mp -60.46 -29.23 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.598 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 m -56.97 -30.96 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.459 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.79 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.49 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' HD23 ' A' ' 6' ' ' LEU . 98.4 mt -74.64 -36.64 62.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 111.113 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -159.45 105.11 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.584 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' A' ' 15' ' ' CYS . 2.8 tpm_? . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.632 0.253 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.77 -48.99 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.352 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.05 147.46 83.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.57 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -53.34 -44.32 49.92 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.905 2.403 . . . . 0.0 113.651 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 20.4 p90 -95.51 145.43 25.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.99 134.3 2.99 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.183 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 8' ' ' ARG . 7.3 p -93.18 145.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.48 ' N ' HG23 ' B' ' 7' ' ' VAL . 14.6 mmt85 -72.26 116.74 13.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.954 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 72.9 mt -132.6 137.23 46.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -142.24 146.02 34.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.001 0.429 . . . . 0.0 111.447 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.95 -136.3 45.72 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.561 -0.745 . . . . 0.0 114.405 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.536 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 0.0 OUTLIER -68.99 -25.66 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.153 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -64.64 -38.62 91.61 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.954 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 1.6 t80 -61.71 -47.9 83.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.82 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.76 HG22 HD12 ' B' ' 19' ' ' ILE . 60.8 mt -58.77 -37.72 67.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.391 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 57.3 mtt180 -55.33 -46.97 76.32 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 121.276 -0.17 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.68 91.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.249 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 20' ' ' LEU . 66.7 t -62.55 -43.57 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.923 0.868 . . . . 0.0 108.993 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.76 HD12 HG22 ' B' ' 15' ' ' ILE . 0.5 OUTLIER -65.98 -46.58 87.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.2 -47.49 75.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.788 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.516 HG23 ' HG ' ' A' ' 21' ' ' SER . 24.0 m -66.87 -33.79 76.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 t -73.06 -42.06 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.235 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.58 -47.42 1.04 Allowed Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.591 ' HA2' ' HZ2' ' B' ' 27' ' ' TRP . . . 158.05 146.35 4.49 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.105 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.9 p -168.54 -99.95 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.712 0.256 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.519 ' HD3' ' N ' ' B' ' 27' ' ' TRP . 6.9 tpp180 -150.36 115.28 5.31 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.347 0.594 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.591 ' HZ2' ' HA2' ' B' ' 24' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.355 0 CA-C-N 114.44 -1.255 . . . . 0.0 108.989 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.403 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.344 0.592 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.542 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 24.5 t70 -130.13 -56.82 1.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.134 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 15' ' ' CYS . 2.6 mm? -61.77 -42.17 98.64 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.283 0.563 . . . . 0.0 110.292 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -84.71 -50.88 7.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.445 0.641 . . . . 0.0 110.694 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 26.9 m -77.23 -70.35 0.47 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -176.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 9.0 mp -63.29 -26.29 68.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.2 t -54.91 -36.45 65.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 118.181 0.446 . . . . 0.0 112.165 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -74.15 -24.67 59.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.148 0.499 . . . . 0.0 109.716 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 m -83.47 -50.89 7.84 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.845 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.447 ' CG ' ' H2 ' ' B' ' 1' ' ' ARG . 1.0 OUTLIER -116.89 -65.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.692 178.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.54 ' O ' ' HD2' ' B' ' 1' ' ' ARG . . . 165.1 -179.36 39.71 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.668 ' HA ' ' HD2' ' B' ' 1' ' ' ARG . 21.9 p -157.03 134.29 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 110.098 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -82.15 144.16 30.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.305 -178.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.507 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.1 mpp? -57.31 -32.96 67.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.626 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 p -60.06 -44.45 94.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.417 0.627 . . . . 0.0 111.16 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.8 -34.87 76.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 16' ' ' SER . 64.6 mt -62.89 -35.56 80.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.084 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.516 ' HG ' HG23 ' B' ' 21' ' ' THR . 18.8 m -49.19 -37.74 23.67 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.16 -36.35 82.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -64.21 -30.22 71.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.569 -0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.26 -46.15 0.42 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.351 0.407 . . . . 0.0 110.4 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.58 135.47 40.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.068 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.49 -49.15 2.63 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.867 2.378 . . . . 0.0 112.551 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -63.68 147.89 50.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.768 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.65 145.24 9.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.927 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -94.16 148.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -70.49 113.92 8.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.676 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 48.2 mt -134.46 140.1 45.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 95.6 m -144.59 160.57 40.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 111.881 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.57 -125.46 3.45 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 114.933 -1.031 . . . . 0.0 115.614 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -69.5 -33.2 72.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.793 -0.703 . . . . 0.0 111.647 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.3 mp0 -62.82 -43.07 99.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.42 0.628 . . . . 0.0 109.306 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.676 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 20.4 t80 -61.12 -52.87 63.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.511 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 31.3 mt -61.63 -36.32 72.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -37.14 86.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.005 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.403 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -66.89 -33.55 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.753 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.48 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 87.6 t -63.58 -42.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.873 HG22 ' HB2' ' B' ' 27' ' ' TRP . 11.3 mm -70.26 -33.82 56.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.178 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.403 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.0 OUTLIER -58.3 -44.66 88.66 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 17' ' ' MET . 21.2 m -67.9 -35.87 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.754 178.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -5.27 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.031 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.37 68.3 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 113.143 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.86 49.2 72.67 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.439 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 20.1 p -64.46 -35.44 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 24.9 ptt-85 -167.2 44.65 0.05 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.873 ' HB2' HG22 ' B' ' 19' ' ' ILE . 36.5 m95 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.488 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.735 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.224 -0.247 0 CA-C-O 120.881 0.372 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.766 ' HA ' HD11 ' A' ' 9' ' ' LEU . 11.3 p-10 -63.19 -23.37 67.4 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.996 0.427 . . . . 0.0 110.726 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.633 HD23 ' HG ' ' A' ' 23' ' ' LEU . 20.4 tp -86.82 -50.48 6.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.703 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.11 -57.17 2.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 112.069 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.735 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 98.6 m -52.96 -51.25 62.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.008 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.766 HD11 ' HA ' ' A' ' 5' ' ' ASP . 10.6 mp -70.52 -22.17 62.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 111.399 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 10.9 t -68.61 -36.46 78.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.166 0.508 . . . . 0.0 110.037 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.2 m -68.09 -35.36 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.883 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -80.78 -59.09 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -55.13 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.47 159.22 8.63 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.644 -1.265 . . . . 0.0 113.276 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.55 ' SG ' HD11 ' A' ' 20' ' ' LEU . 19.9 p -129.8 139.54 51.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.815 0.34 . . . . 0.0 110.126 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 20' ' ' LEU . 37.6 t -76.5 144.28 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.147 0.498 . . . . 0.0 111.267 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.42 ' O ' HG21 ' B' ' 21' ' ' THR . 31.2 ttm -55.72 -42.98 76.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.404 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.2 p -58.11 -42.58 86.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.743 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.93 -35.11 80.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.715 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.55 HD11 ' SG ' ' A' ' 15' ' ' CYS . 6.1 mp -55.96 -34.42 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.326 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -50.19 -31.1 12.87 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.76 84.45 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.633 ' HG ' HD23 ' A' ' 6' ' ' LEU . 61.5 mt -68.17 -40.58 82.25 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.8 t -76.41 -20.56 56.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.871 0.367 . . . . 0.0 110.937 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.497 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.525 ' HD3' ' O ' ' A' ' 14' ' ' GLY . 28.8 tpt180 . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.07 60.09 2.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.178 0.513 . . . . 0.0 110.197 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.54 160.28 30.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.33 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.28 -39.8 16.26 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.39 2.727 . . . . 0.0 113.344 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -142.46 151.65 41.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.802 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.02 137.14 4.54 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.476 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.32 141.93 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 10' ' ' CYS . 34.3 ttm180 -75.54 125.61 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -135.13 140.54 45.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.65 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -144.63 173.19 12.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.085 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.419 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 47.98 -134.32 17.18 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.829 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.067 -0.567 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.16 -45.91 91.33 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.402 ' HZ ' ' HB3' ' A' ' 6' ' ' LEU . 28.8 t80 -62.24 -48.97 77.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.778 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 11' ' ' GLY . 50.8 mm -57.62 -43.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.079 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.513 ' NE ' ' HA ' ' B' ' 16' ' ' ARG . 4.7 mmp_? -66.46 -40.92 89.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.247 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.19 86.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.726 0.298 . . . . 0.0 111.314 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.73 -43.43 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.509 0.671 . . . . 0.0 109.32 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.42 HD12 ' CE2' ' B' ' 27' ' ' TRP . 6.0 mm -72.11 -35.51 53.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.639 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -47.59 82.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 17' ' ' MET . 30.4 m -67.54 -33.78 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.149 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.65 -28.17 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.865 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.39 16.89 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.059 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.9 53.16 44.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.215 -0.517 . . . . 0.0 113.159 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -65.53 -35.4 80.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 24.97 0.11 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.263 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.454 ' CD1' ' N ' ' B' ' 27' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.493 -1.242 . . . . 0.0 109.187 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.575 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.52 -0.207 0 CA-C-O 121.394 0.616 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -119.49 -63.43 1.38 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.444 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.7 mm? -64.93 -41.52 95.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.15 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -80.84 -39.72 26.1 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.632 0.73 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.575 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 58.2 m -89.08 -68.13 0.79 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.96 -36.21 67.57 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 81.0 m -59.32 -35.0 73.01 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.18 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 17.1 m -81.26 -27.77 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.958 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -78.37 -48.73 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.068 0.461 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.41 -71.32 0.74 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.249 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' O ' ' HD3' ' B' ' 1' ' ' ARG . . . 154.82 164.86 13.36 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -141.72 158.88 43.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.814 0.807 . . . . 0.0 111.746 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.2 t -84.41 158.92 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.986 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.498 ' HA ' ' HE2' ' A' ' 17' ' ' MET . 20.3 mmt -60.51 -33.28 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 p -61.81 -37.35 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.07 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 6' ' ' LEU . 53.4 m-20 -63.43 -47.29 82.54 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.577 0.703 . . . . 0.0 109.627 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.3 -31.19 70.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.033 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -54.13 -33.12 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.95 90.23 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.96 -40.38 91.25 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.53 -20.46 56.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.447 -0.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.52 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 48.1 ttp180 . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.79 133.63 48.6 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.95 150.92 14.43 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.575 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -53.6 -40.62 78.58 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.966 2.444 . . . . 0.0 112.233 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -134.23 140.48 46.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.064 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . 0.507 ' HA2' ' OG ' ' A' ' 16' ' ' SER . . . -175.16 125.55 1.09 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.451 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.454 HG11 ' SD ' ' A' ' 17' ' ' MET . 7.2 p -87.74 138.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -89.21 121.17 31.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.675 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.0 mt -131.92 141.76 49.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.618 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.19 163.7 29.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.901 0.382 . . . . 0.0 111.659 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.29 -121.41 0.83 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.527 ' O ' HG23 ' B' ' 15' ' ' ILE . 16.7 mmp_? -71.42 -32.95 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.869 -0.666 . . . . 0.0 111.569 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.1 mp0 -62.47 -43.28 99.2 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.675 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 37.5 t80 -59.17 -55.83 29.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.671 ' O ' HD11 ' B' ' 19' ' ' ILE . 10.3 tp -61.99 -39.47 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.494 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.639 ' NH2' HG12 ' B' ' 19' ' ' ILE . 5.2 mmp_? -65.6 -37.75 87.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.966 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.35 77.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.738 0.304 . . . . 0.0 110.468 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.568 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 88.2 t -63.89 -43.22 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.671 HD11 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -66.99 -43.4 89.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.727 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.62 -48.5 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.542 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.7 m -66.2 -36.91 84.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.518 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.93 -39.58 87.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.76 -22.98 4.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.582 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.407 ' HA2' ' OXT' ' B' ' 27' ' ' TRP . . . 68.73 32.89 74.74 Favored Glycine 0 C--O 1.229 -0.206 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.785 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -98.44 32.91 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.897 0.38 . . . . 0.0 111.252 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -172.29 -33.88 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.41 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.505 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.429 -0.805 . . . . 0.0 108.982 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 121.41 0.624 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.52 ' OD2' ' HB2' ' B' ' 1' ' ' ARG . 7.6 t70 -131.45 -53.0 1.02 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.755 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 19' ' ' ASP . 38.3 tp -64.06 -47.61 79.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.302 0.572 . . . . 0.0 109.811 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.479 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 7.7 tt0 -80.02 -55.72 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 m -67.59 -52.31 40.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.0 mp -81.69 35.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 51.1 t -81.83 -35.57 29.27 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -68.68 -35.73 77.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.18 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -73.9 -55.78 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -67.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.798 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.08 134.22 1.73 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.798 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 6.0 p -93.52 -24.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.843 -0.21 . . . . 0.0 111.485 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.702 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.8 m 68.94 142.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.556 0.693 . . . . 0.0 112.239 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.507 ' HA ' HD12 ' A' ' 20' ' ' LEU . 2.3 mpp? -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.789 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -51.34 -47.84 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.702 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.429 ' HB3' HD12 ' A' ' 6' ' ' LEU . 14.9 m-20 -68.85 -35.57 77.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.437 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 16' ' ' SER . 71.1 mt -55.13 -32.11 61.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.751 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -52.32 -40.75 62.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.1 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.41 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.453 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 42.7 t -63.17 -32.6 74.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.461 . . . . 0.0 110.638 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.412 -0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.632 ' HD3' ' O ' ' A' ' 14' ' ' GLY . 5.6 ptm180 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.31 -50.79 66.54 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.809 0.338 . . . . 0.0 111.241 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.479 ' HB3' ' OD2' ' A' ' 19' ' ' ASP . . . -82.73 135.65 45.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.539 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.44 -44.84 16.6 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.847 2.365 . . . . 0.0 111.997 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -111.3 139.33 46.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.375 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.8 144.62 8.88 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.908 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.4 148.23 8.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.7 0.286 . . . . 0.0 110.236 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.83 121.62 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.994 0.426 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.52 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 56.0 mt -125.88 127.99 46.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 83.5 m -138.32 143.74 40.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.518 ' O ' HD12 ' B' ' 15' ' ' ILE . . . 48.36 -130.19 20.0 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.274 -0.875 . . . . 0.0 114.807 178.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 24.6 mtm180 -52.28 -40.8 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.421 0.688 . . . . 0.0 111.606 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -60.65 -44.75 96.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.5 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.52 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 14.2 t80 -62.83 -48.72 77.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.56 ' O ' HD11 ' B' ' 19' ' ' ILE . 1.8 mp -60.11 -46.21 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.487 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.421 ' NH2' HG12 ' B' ' 19' ' ' ILE . 1.0 OUTLIER -63.8 -36.58 84.38 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.326 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.34 90.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.771 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.4 t -63.84 -42.08 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.56 HD11 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -64.95 -40.94 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.429 -1.26 . . . . 0.0 109.696 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.98 -36.28 74.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.838 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -64.43 -32.59 74.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.738 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 60.1 m -74.21 -11.07 60.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.546 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.29 27.18 73.15 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.557 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.539 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 54.8 30.33 52.28 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.9 m -95.18 27.95 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.626 0.251 . . . . 0.0 111.649 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 53.0 ttp85 -176.21 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.539 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.176 -1.392 . . . . 0.0 109.56 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.779 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.226 -0.139 0 CA-C-O 120.476 0.179 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -56.23 -28.02 56.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.969 0.414 . . . . 0.0 109.919 178.295 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' HB3' ' H ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -78.04 -91.38 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 178.557 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 38.9 tt0 -52.26 -55.67 19.77 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.779 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 90.1 m -57.74 -39.53 77.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.7 mp -95.56 17.58 14.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.7 m -72.31 -44.88 62.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.6 m -81.94 -38.23 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -48.89 54.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.854 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' OD1' ' HG2' ' B' ' 1' ' ' ARG . 10.3 t70 -109.19 -68.65 0.9 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.196 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.632 ' O ' ' HD3' ' B' ' 1' ' ' ARG . . . 151.86 137.86 2.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.183 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 89.7 m -120.03 140.5 50.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.171 0.51 . . . . 0.0 111.386 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.7 t -110.37 161.33 15.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.025 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -24.33 65.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.255 0.55 . . . . 0.0 110.108 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -62.33 -43.65 98.33 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' OD2' ' HB3' ' B' ' 3' ' ' ALA . 1.3 m-20 -75.38 -40.75 57.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 110.519 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.86 -23.34 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -53.65 -40.04 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.54 88.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 -32.2 67.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.359 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.5 t -60.69 -35.32 76.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.819 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.475 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.14 -41.31 20.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.548 ' HB3' ' CE2' ' B' ' 5' ' ' TYR . . . -92.62 118.07 67.84 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.972 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 12.1 Cg_exo -71.6 93.28 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 123.096 2.531 . . . . 0.0 114.691 -178.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' B' ' 3' ' ' ALA . 32.2 p90 177.63 -177.37 0.19 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.121 -1.399 . . . . 0.0 107.934 177.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.51 150.36 9.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.64 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.421 HG23 HD23 ' B' ' 9' ' ' LEU . 4.0 p -134.82 142.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -71.11 108.55 4.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.717 0.294 . . . . 0.0 111.214 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.544 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 40.6 mt -133.73 131.12 39.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.67 164.32 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.999 0.428 . . . . 0.0 111.674 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.533 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 55.22 -137.98 43.84 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.444 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.97 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -65.31 -42.04 93.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.349 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 7' ' ' GLN . 32.9 t80 -62.82 -46.15 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.489 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 11' ' ' GLY . 10.9 mm -59.17 -45.54 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.299 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.525 ' HA ' ' HD3' ' B' ' 16' ' ' ARG . 14.0 mmt180 -64.23 -38.57 91.51 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.25 90.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.728 0.299 . . . . 0.0 110.947 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.405 HG23 ' HG ' ' A' ' 20' ' ' LEU . 86.8 t -66.54 -43.88 90.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.532 0.682 . . . . 0.0 109.38 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.512 HG13 ' CG ' ' B' ' 27' ' ' TRP . 10.6 mm -70.51 -34.48 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.715 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -46.43 87.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 17' ' ' MET . 34.8 m -68.92 -35.84 77.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.149 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.12 -26.48 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.604 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.11 37.61 6.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.776 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.71 53.65 36.71 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 3.7 p -58.24 -47.77 82.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -173.34 37.84 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.201 0.524 . . . . 0.0 111.248 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.512 ' CG ' HG13 ' B' ' 19' ' ' ILE . 7.0 m95 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.777 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.223 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.48 ' HA ' HD11 ' A' ' 9' ' ' LEU . 1.7 p-10 -64.0 -23.83 67.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.294 0.569 . . . . 0.0 109.884 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 56.2 tp -77.46 -76.33 0.18 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.308 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 50.3 tt0 -69.96 -58.27 4.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.777 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 91.6 m -54.36 -48.86 70.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.908 -178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 5' ' ' ASP . 92.5 mt -94.2 25.32 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 29.7 t -73.94 -37.6 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.797 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.78 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.429 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -75.45 -58.98 2.95 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -106.03 -61.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.214 0.53 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.65 134.91 2.83 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.095 -1.05 . . . . 0.0 112.614 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.646 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 9.5 p -96.5 129.7 43.81 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.266 0.555 . . . . 0.0 110.749 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.503 ' HB3' ' CZ ' ' B' ' 5' ' ' TYR . 1.4 m -69.93 133.45 47.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.269 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.55 ' O ' HG23 ' B' ' 21' ' ' THR . 4.4 ppp? -63.14 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.716 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -60.96 -38.95 87.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.307 0.575 . . . . 0.0 110.019 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.92 -35.41 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.833 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 16' ' ' SER . 4.3 mp -57.45 -26.56 61.38 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.278 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -53.74 -38.55 64.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 111.467 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.83 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.053 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 23' ' ' LEU . 90.4 mt -63.97 -38.79 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.634 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.7 t -82.67 -23.28 34.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.331 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.38 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.422 ' HB2' ' OD2' ' A' ' 13' ' ' ASP . 41.7 ttt-85 . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.745 0.307 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.39 87.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.739 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.25 144.22 97.51 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.356 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.82 -43.91 48.44 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.319 2.679 . . . . 0.0 112.272 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' SER . 32.6 p90 -133.57 162.2 32.54 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 138.85 5.89 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 119.516 -1.326 . . . . 0.0 113.16 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -112.96 145.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' B' ' 8' ' ' ARG . 20.7 mmt85 -75.81 107.07 7.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.036 0.446 . . . . 0.0 111.143 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.498 HD13 ' SG ' ' A' ' 15' ' ' CYS . 49.5 mt -120.57 130.76 54.34 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 m -129.71 133.37 47.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.0 112.419 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.412 ' O ' HD11 ' B' ' 15' ' ' ILE . . . 51.41 -123.72 19.74 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.003 -0.999 . . . . 0.0 114.647 178.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.544 ' HA ' ' HE ' ' B' ' 12' ' ' ARG . 4.6 tpm_? -50.22 -41.57 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.434 0.694 . . . . 0.0 112.409 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.57 -38.69 92.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.377 0.423 . . . . 0.0 111.611 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 22.1 t80 -59.18 -47.04 86.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.412 HD11 ' O ' ' B' ' 11' ' ' GLY . 1.9 mp -60.92 -45.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.934 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -62.04 -42.34 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.726 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.83 81.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.407 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.454 HG23 ' HG ' ' A' ' 20' ' ' LEU . 93.3 t -65.93 -44.38 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.445 HG23 ' O ' ' B' ' 27' ' ' TRP . 6.2 mm -69.8 -39.65 78.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.424 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.37 -48.01 74.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.255 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.561 HG21 ' O ' ' A' ' 17' ' ' MET . 21.7 m -70.62 -34.8 72.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.267 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.94 -27.01 67.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.39 78.03 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.95 36.75 89.46 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.298 -0.451 . . . . 0.0 112.309 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -114.72 -32.99 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.851 0.358 . . . . 0.0 110.455 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.445 ' O ' HG23 ' B' ' 19' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.257 1.457 0 CA-C-O 117.047 -1.454 . . . . 0.0 107.963 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.801 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 120.426 0.155 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 6.5 p-10 -65.86 -31.88 73.08 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.139 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 48.4 tp -70.3 -66.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.747 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -76.82 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 112.138 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.801 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 90.0 m -58.34 -52.75 64.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.118 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -94.98 34.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -69.86 -37.46 76.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.499 0.666 . . . . 0.0 109.686 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.16 -31.29 65.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -84.39 -50.06 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' OD2' ' HB2' ' B' ' 1' ' ' ARG . 42.1 t0 -106.79 -63.46 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.17 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.18 143.05 3.74 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.679 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 29.2 p -127.58 143.96 51.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' B' ' 5' ' ' TYR . 12.1 t -82.99 141.61 31.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.561 ' O ' HG21 ' B' ' 21' ' ' THR . 62.6 mtm -65.73 -32.92 74.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -65.85 -40.89 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 109.763 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' OD1' ' HB3' ' A' ' 16' ' ' SER . 1.1 m-20 -67.04 -36.82 82.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.627 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 HD11 ' SG ' ' A' ' 15' ' ' CYS . 4.8 mp -62.02 -28.43 69.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.405 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -56.39 -40.43 74.6 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.921 0.391 . . . . 0.0 110.527 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.15 -34.23 74.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.993 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 23' ' ' LEU . 95.9 mt -63.56 -35.42 80.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.48 -35.97 82.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.426 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.491 -0.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.559 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 14.1 ptm180 . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 121.187 0.518 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.18 90.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.45 141.42 65.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.755 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -44.93 -48.44 10.84 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.834 3.022 . . . . 0.0 113.96 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 16' ' ' SER . 26.0 t80 -64.89 140.27 58.85 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.803 -178.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.47 121.74 1.01 Allowed Glycine 0 N--CA 1.435 -1.401 0 C-N-CA 120.244 -0.979 . . . . 0.0 112.968 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.419 HG13 HD21 ' B' ' 9' ' ' LEU . 5.4 p -108.68 142.39 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.676 ' CZ ' ' HA ' ' A' ' 13' ' ' ASP . 56.2 mtt85 -65.94 120.93 13.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.162 0.505 . . . . 0.0 111.314 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.825 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 39.3 mt -127.91 124.26 36.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.855 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 58.2 m -136.4 144.41 44.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.178 0.513 . . . . 0.0 112.269 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.22 -126.9 37.74 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.938 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.496 ' O ' ' HD2' ' B' ' 12' ' ' ARG . 6.8 tmm_? -59.35 -39.9 84.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.976 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.19 -41.76 99.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.93 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.825 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.6 t80 -58.17 -53.7 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.285 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.53 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.586 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.667 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 3.4 tpm_? -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -61.39 -36.35 80.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.579 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 84.2 t -62.52 -41.07 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.635 HG13 HH21 ' B' ' 16' ' ' ARG . 11.4 mm -70.25 -37.93 72.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.127 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.408 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.2 m-85 -54.79 -39.68 68.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.481 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.638 HG23 ' HG ' ' A' ' 21' ' ' SER . 94.2 m -63.64 -41.99 98.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.65 178.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . 0.434 ' HB3' ' OG ' ' B' ' 25' ' ' SER . 2.6 m -74.58 -32.06 62.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.447 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.32 37.37 11.06 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.067 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.84 48.47 83.64 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.491 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' B' ' 22' ' ' CYS . 1.1 m -74.21 0.86 12.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG3' ' HD1' ' B' ' 27' ' ' TRP . 2.9 ptt-85 -170.09 -36.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.441 ' O ' HG21 ' B' ' 19' ' ' ILE . 6.6 p-90 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 117.085 -1.436 . . . . 0.0 108.764 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.722 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.574 0.702 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.74 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 5.8 t70 -121.13 -60.03 1.67 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.51 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.88 HD22 ' HG ' ' A' ' 23' ' ' LEU . 12.9 tp -63.42 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -91.98 -46.98 7.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.446 0.641 . . . . 0.0 110.906 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.722 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 35.9 m -85.49 -69.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -176.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.74 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mm? -52.03 -31.76 31.21 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 66.1 m -59.72 -34.47 72.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.89 -36.03 25.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.482 0.658 . . . . 0.0 109.504 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -64.91 -43.72 91.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.709 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.676 ' HA ' ' CZ ' ' B' ' 8' ' ' ARG . 38.8 t70 -137.83 -47.54 0.55 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' A' ' 10' ' ' CYS . . . -179.09 156.82 19.54 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 118.666 -1.73 . . . . 0.0 114.484 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.625 ' SG ' HD21 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -138.86 141.69 38.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.368 -0.416 . . . . 0.0 111.169 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.475 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.2 t -98.51 147.63 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.2 mtm -63.09 -36.86 84.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -61.47 -35.66 78.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.76 -43.26 72.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.061 0.458 . . . . 0.0 109.853 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.625 HD21 ' SG ' ' A' ' 15' ' ' CYS . 86.8 mt -54.07 -32.31 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.818 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.638 ' HG ' HG23 ' B' ' 21' ' ' THR . 14.8 m -53.14 -33.38 52.17 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.686 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.61 92.76 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.88 ' HG ' HD22 ' A' ' 6' ' ' LEU . 93.3 mt -69.87 -39.09 76.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.547 ' HB2' HG11 ' B' ' 18' ' ' VAL . 40.3 t -74.65 -20.74 59.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.748 0.308 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.13 -43.12 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.867 0.365 . . . . 0.0 111.064 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.39 142.64 78.45 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.509 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -59.41 -43.83 37.39 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.25 2.633 . . . . 0.0 111.936 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 16' ' ' SER . 43.4 p90 -83.12 142.8 30.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.837 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.78 155.68 26.81 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.482 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.408 HG11 HD22 ' B' ' 9' ' ' LEU . 7.6 p -133.54 150.19 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -68.17 120.53 14.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.583 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 33.8 mt -134.53 130.85 37.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -141.5 140.67 33.56 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.402 ' O ' HG13 ' B' ' 15' ' ' ILE . . . 47.38 -123.85 8.76 Favored Glycine 0 C--N 1.333 0.41 0 CA-C-N 114.746 -1.115 . . . . 0.0 114.874 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -52.09 -43.91 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.825 -0.688 . . . . 0.0 112.385 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -41.35 91.23 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.244 0.545 . . . . 0.0 110.142 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.465 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 2.3 t80 -59.35 -49.9 76.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.862 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.622 HG21 HH21 ' B' ' 16' ' ' ARG . 58.2 mt -64.0 -39.78 86.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.053 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.622 HH21 HG21 ' B' ' 15' ' ' ILE . 5.4 mmp_? -65.07 -38.66 91.52 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.678 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.62 77.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 24' ' ' CYS . 92.2 t -64.12 -44.45 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 109.377 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.603 HG23 ' HB2' ' B' ' 25' ' ' SER . 13.8 mm -69.95 -40.64 78.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.81 88.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.353 0.597 . . . . 0.0 109.567 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.503 ' OG1' ' HB2' ' A' ' 17' ' ' MET . 24.6 m -71.07 -33.14 69.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.425 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.04 -39.15 88.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.1 -47.33 1.03 Allowed Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.141 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.13 55.44 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.044 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.603 ' HB2' HG23 ' B' ' 19' ' ' ILE . 1.8 m -64.52 152.93 40.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' B' ' 26' ' ' ARG . 12.0 mmt85 -99.01 51.39 0.96 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.429 ' NE1' ' HB3' ' B' ' 25' ' ' SER . 34.5 p-90 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 117.742 -1.123 . . . . 0.0 109.085 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.775 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 121.989 0.9 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -93.68 -64.32 1.1 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.833 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.722 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.1 mm? -68.64 -32.39 72.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.264 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.577 ' HB3' ' H1 ' ' A' ' 4' ' ' PCA . 9.5 tm0? -86.3 -50.82 6.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.123 0.487 . . . . 0.0 111.447 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.775 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 8.1 m -90.6 -61.39 1.69 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.6 tp -55.54 -32.52 63.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.722 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 74.1 m -59.49 -34.35 72.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.869 0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -82.37 -32.34 29.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.069 0.461 . . . . 0.0 110.197 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -71.36 -48.87 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.659 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.24 -66.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.52 153.49 6.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.0 m -137.67 152.43 49.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.464 ' HB2' ' CE2' ' B' ' 5' ' ' TYR . 54.1 p -85.54 163.44 18.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.503 ' HB2' ' OG1' ' B' ' 21' ' ' THR . 0.0 OUTLIER -66.53 -22.92 66.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.263 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 m -65.85 -41.81 91.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.985 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.84 -44.72 96.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.612 0.72 . . . . 0.0 109.948 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.525 ' HB3' HG22 ' B' ' 18' ' ' VAL . 11.3 mp -67.05 -23.09 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.434 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -56.07 -39.21 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.713 0.292 . . . . 0.0 111.602 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -28.21 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.28 -38.89 78.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.538 ' HB2' HG12 ' B' ' 18' ' ' VAL . 23.4 t -81.61 73.77 8.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.437 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 13' ' ' ASP . 11.6 ttm180 . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.89 -55.06 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.43 152.92 85.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.414 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.53 -49.82 14.77 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.061 2.507 . . . . 0.0 113.155 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -73.7 153.55 40.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.22 135.61 4.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.195 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.479 HG22 ' N ' ' B' ' 8' ' ' ARG . 8.2 p -120.14 147.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.479 ' N ' HG22 ' B' ' 7' ' ' VAL . 30.5 mmt-85 -79.13 116.56 19.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.557 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 57.1 mt -129.54 135.11 48.19 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 76.6 m -142.35 156.21 45.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.498 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.432 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 51.65 -139.72 26.76 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.339 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.6 ' HA ' HG12 ' B' ' 15' ' ' ILE . 0.0 OUTLIER -70.34 -18.39 63.08 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -179.695 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.71 -43.24 94.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.557 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 31.5 t80 -61.19 -47.66 85.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.39 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.6 HG12 ' HA ' ' B' ' 12' ' ' ARG . 8.6 mm -58.13 -43.32 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.538 ' NE ' ' HA ' ' B' ' 16' ' ' ARG . 5.8 mmp_? -66.24 -41.53 89.86 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.54 77.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.855 0.36 . . . . 0.0 111.061 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.521 HG21 ' O ' ' B' ' 14' ' ' PHE . 91.3 t -66.21 -44.37 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.497 0.665 . . . . 0.0 109.341 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.533 HG13 ' NH2' ' B' ' 16' ' ' ARG . 31.4 mm -70.2 -34.98 61.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.21 -41.8 89.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 17' ' ' MET . 90.8 m -64.31 -39.4 93.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.851 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' B' ' 25' ' ' SER . 23.3 m -77.29 -6.94 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.436 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.72 42.18 95.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.904 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 54.73 11.92 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.79 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' B' ' 22' ' ' CYS . 3.2 p -57.24 -37.43 72.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -161.28 -40.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.675 -178.112 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.438 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.227 -0.11 0 CA-C-O 121.479 0.657 . . . . 0.0 111.402 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 2.2 t70 -126.44 -57.51 1.37 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.134 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.787 HD22 ' HG ' ' A' ' 23' ' ' LEU . 45.0 tp -58.8 -41.81 87.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.204 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.434 ' HA ' ' CZ ' ' B' ' 14' ' ' PHE . 39.5 tt0 -90.46 -62.64 1.41 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.605 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 42.1 m -65.41 -57.91 7.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -177.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.587 HD13 ' HB ' ' A' ' 12' ' ' THR . 15.2 tp -69.78 -4.37 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.7 t -63.59 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.041 -0.412 . . . . 0.0 110.541 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.69 -37.65 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.893 0.377 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.587 ' HB ' HD13 ' A' ' 9' ' ' LEU . 8.0 m -82.15 -58.75 2.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.413 ' CG ' HH21 ' B' ' 1' ' ' ARG . 29.1 t70 -92.41 -51.89 4.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.78 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.48 139.16 5.25 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.695 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' HD11 ' B' ' 9' ' ' LEU . 26.9 p -115.6 140.78 48.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.509 . . . . 0.0 110.782 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.41 143.32 32.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.619 -179.192 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.496 ' HA ' HD12 ' A' ' 20' ' ' LEU . 4.6 mpp? -58.86 -39.91 82.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 110.43 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 m -59.25 -41.52 88.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' CB ' HD11 ' A' ' 6' ' ' LEU . 10.4 m-20 -63.81 -37.13 86.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.612 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 17' ' ' MET . 69.2 mt -52.33 -32.21 36.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.471 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -52.68 -28.28 21.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.06 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.82 92.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.787 ' HG ' HD22 ' A' ' 6' ' ' LEU . 78.7 mt -74.79 -41.94 59.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 111.648 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -19.43 55.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.638 -0.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.985 0.421 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.92 92.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.085 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 16' ' ' SER . . . -90.72 137.8 26.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.225 179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.67 -46.59 25.93 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.724 2.283 . . . . 0.0 112.102 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -70.67 145.54 50.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.56 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.37 145.65 8.98 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.93 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.32 144.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.653 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 55.3 mtt85 -77.11 124.55 27.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.496 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.675 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 23.2 mt -131.97 128.63 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.221 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 m -140.95 148.83 41.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.196 0.522 . . . . 0.0 111.827 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.18 -133.67 52.59 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.974 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -64.73 -29.18 70.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.352 . . . . 0.0 111.783 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.07 -41.69 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.375 0.607 . . . . 0.0 109.544 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.675 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.1 t80 -61.33 -49.41 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.015 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 46.1 mm -56.92 -44.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.759 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 16' ' ' ARG . 27.8 ttm105 -63.23 -43.88 96.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.135 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.85 78.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.53 HG23 ' O ' ' B' ' 14' ' ' PHE . 81.6 t -65.38 -44.09 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.506 HG22 ' O ' ' B' ' 27' ' ' TRP . 5.7 mm -68.84 -39.41 79.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.053 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.78 -47.99 76.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.34 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 17' ' ' MET . 34.8 m -67.91 -36.36 80.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.057 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -26.45 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.65 25.56 75.51 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.37 35.8 86.46 Favored Glycine 0 CA--C 1.521 0.453 0 CA-C-N 115.322 -0.439 . . . . 0.0 112.406 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -66.77 -40.59 88.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.069 0.462 . . . . 0.0 111.676 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.563 ' NE ' ' HA ' ' B' ' 26' ' ' ARG . 4.4 mmp_? -115.97 -37.96 3.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.506 ' O ' HG22 ' B' ' 19' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.257 1.456 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.835 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.637 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.681 0.753 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -123.03 -59.64 1.57 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.679 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.692 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.54 -38.46 91.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.403 0.62 . . . . 0.0 110.419 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -86.46 -46.4 10.24 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.457 0.646 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 29.6 m -82.15 -66.7 0.86 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -177.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' HA ' HD11 ' A' ' 9' ' ' LEU . 3.4 mm? -51.93 -38.85 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.2 m -59.66 -34.91 73.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.0 t -85.13 -39.57 17.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.938 0.399 . . . . 0.0 110.329 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -66.71 -45.06 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.653 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 35.5 t0 -132.98 -46.8 0.85 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.879 0.371 . . . . 0.0 111.45 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.19 167.9 11.09 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.32 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -157.41 158.85 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.467 ' HB2' ' HB3' ' B' ' 3' ' ' ALA . 48.2 t -73.42 155.9 38.83 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.446 ' O ' HG22 ' B' ' 21' ' ' THR . 0.1 OUTLIER -59.88 -33.11 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -54.06 -38.66 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.788 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.06 -40.16 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.638 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' HG ' HG21 ' B' ' 18' ' ' VAL . 9.2 mp -58.71 -36.72 74.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.734 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -54.81 -33.01 61.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 6' ' ' LEU . 74.3 mt -71.18 -35.83 71.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.432 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t -71.75 -24.6 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.506 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.446 ' HD2' ' OD1' ' A' ' 13' ' ' ASP . 4.1 tpm_? . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.777 0.322 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.4 63.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.302 0.572 . . . . 0.0 110.134 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.18 142.22 87.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.523 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.53 -45.66 39.42 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.125 2.55 . . . . 0.0 112.724 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' SER . 49.5 p90 -128.13 164.08 23.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.08 132.59 2.71 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.237 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.83 145.0 10.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -75.74 113.74 13.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.048 0.451 . . . . 0.0 110.477 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.829 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 51.5 mt -126.54 137.28 53.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 108.963 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -133.09 136.27 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.1 -121.6 6.32 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.088 -0.96 . . . . 0.0 114.915 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -55.24 -44.29 75.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.801 -0.7 . . . . 0.0 112.307 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.85 -38.89 92.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.897 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.829 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.7 t80 -60.27 -51.02 71.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.561 177.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.521 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.7 mt -63.26 -40.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.581 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.3 mmp_? -62.8 -38.66 91.57 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.208 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.95 88.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.32 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.499 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 94.4 t -62.81 -40.44 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.581 HG13 ' NH2' ' B' ' 16' ' ' ARG . 15.5 mm -69.35 -35.49 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.119 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -43.22 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -72.93 -37.2 67.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.416 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.19 -37.07 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.169 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.44 -5.63 35.62 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.351 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 61.94 36.77 93.32 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.421 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.04 30.24 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 63.8 ttp180 -173.82 -35.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.156 0.503 . . . . 0.0 110.467 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.498 ' O ' HG23 ' B' ' 19' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 116.983 -1.484 . . . . 0.0 108.722 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.773 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.217 -0.624 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.797 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 32.8 p-10 -68.67 -30.59 69.3 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.088 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 36.2 tp -66.92 -58.41 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.701 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' B' ' 14' ' ' PHE . 7.5 tt0 -89.58 -59.68 2.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.368 0.604 . . . . 0.0 111.801 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.773 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 75.7 m -57.97 -54.56 45.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.797 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 96.9 mt -93.52 22.6 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -177.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 42.2 t -69.3 -30.71 68.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.43 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -83.86 31.21 0.49 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.499 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -159.71 -57.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.323 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' OD1' ' HD2' ' B' ' 1' ' ' ARG . 44.9 t0 -88.96 -36.91 15.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.575 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.26 128.72 6.18 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.951 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.61 ' SG ' HD12 ' B' ' 9' ' ' LEU . 9.7 p -100.65 145.81 27.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.8 t -82.53 146.93 28.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.046 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 20' ' ' LEU . 56.5 ttp -61.48 -40.01 93.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.675 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 p -61.25 -42.38 98.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.465 0.65 . . . . 0.0 111.018 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 16' ' ' SER . 1.0 OUTLIER -67.11 -32.59 73.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.556 -179.116 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 16' ' ' SER . 80.3 mt -56.81 -32.66 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.709 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.49 -40.63 62.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.442 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.43 80.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.652 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.46 -35.88 81.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.497 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t -71.5 -29.77 65.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 110.429 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.336 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.629 ' HA ' ' OD2' ' A' ' 19' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 121.167 0.508 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.13 -41.45 18.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.823 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.73 137.13 41.37 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.047 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.19 -46.63 14.7 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 111.852 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.575 ' HE1' ' H ' ' A' ' 17' ' ' MET . 27.7 p90 -62.27 147.42 48.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.571 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.34 139.61 6.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.693 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -117.27 136.51 54.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.912 0.387 . . . . 0.0 110.222 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.83 125.53 26.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.411 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 15' ' ' CYS . 22.2 mt -134.39 137.7 44.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.78 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -140.77 139.08 34.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.823 0.345 . . . . 0.0 111.359 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.434 ' O ' HD13 ' B' ' 15' ' ' ILE . . . 53.24 -126.71 34.51 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.478 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.824 ' HD3' ' H ' ' B' ' 12' ' ' ARG . 0.2 OUTLIER -55.88 -40.5 73.04 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.161 0.585 . . . . 0.0 111.141 -179.007 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -59.19 -42.43 90.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.595 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.662 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.2 t80 -61.1 -49.99 75.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.841 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.458 HG21 ' CE3' ' B' ' 27' ' ' TRP . 1.7 mp -59.4 -44.78 93.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.801 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -65.32 -37.96 88.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.68 87.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.571 HG11 ' HB2' ' A' ' 24' ' ' CYS . 87.9 t -65.82 -41.91 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.531 HG13 ' OXT' ' B' ' 27' ' ' TRP . 19.4 mm -69.47 -36.08 69.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.062 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -39.72 73.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' THR . . . . . 0.613 HG23 ' HG ' ' A' ' 21' ' ' SER . 87.0 m -63.34 -38.39 90.98 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.342 178.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 m -83.64 -5.22 59.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.408 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.61 -42.53 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.316 -0.469 . . . . 0.0 112.102 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.18 147.62 8.09 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -157.49 -156.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.102 0.451 . . . . 0.0 110.459 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.566 ' HD2' ' O ' ' B' ' 26' ' ' ARG . 5.6 tmm_? -85.12 -37.79 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' TRP . . . . . 0.531 ' OXT' HG13 ' B' ' 19' ' ' ILE . 2.1 p-90 . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.341 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PCA . . . . . 0.765 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.71 0.291 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.422 ' OD1' HD23 ' A' ' 9' ' ' LEU . 7.5 t70 -73.34 62.52 0.71 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.769 1.271 . . . . 0.0 109.512 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 19' ' ' ASP . 53.7 tp -179.87 -78.34 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.971 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.405 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 8.0 tt0 -65.05 -48.87 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.298 0.57 . . . . 0.0 110.79 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.765 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 23.6 m -57.9 -43.58 86.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.003 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.9 pp -93.35 13.89 20.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 0.5 OUTLIER -65.25 -44.69 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -88.16 38.38 0.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.948 0.404 . . . . 0.0 110.662 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -155.36 -54.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' HB3' HD12 ' A' ' 9' ' ' LEU . 57.9 t0 -104.44 -71.9 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.61 142.17 3.43 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.632 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.756 ' HB2' HD13 ' B' ' 9' ' ' LEU . 68.0 m -89.82 135.81 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.567 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.597 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.8 m -85.98 137.46 32.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.782 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.575 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 56.8 ttp -56.9 -44.4 82.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.271 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -60.39 -42.1 95.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.221 0.534 . . . . 0.0 111.188 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.629 ' OD2' ' HA ' ' B' ' 1' ' ' ARG . 1.3 m-20 -67.06 -35.08 79.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 15' ' ' CYS . 84.8 mt -59.49 -30.64 68.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.613 ' HG ' HG23 ' B' ' 21' ' ' THR . 15.1 m -55.76 -36.83 67.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.12 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.338 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.6 -37.4 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.571 ' HB2' HG11 ' B' ' 18' ' ' VAL . 32.6 t -72.87 -29.79 63.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.446 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 20.4 p90 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.771 0.319 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.43 143.2 10.22 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.74 142.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.769 0.318 . . . . 0.0 110.73 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -72.91 113.76 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.093 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.846 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 69.2 mt -127.85 132.24 49.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 39.1 m -142.26 151.7 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.75 0.31 . . . . 0.0 111.017 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.41 -133.06 38.84 Favored Glycine 0 CA--C 1.519 0.284 0 N-CA-C 114.708 0.643 . . . . 0.0 114.708 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.503 ' HD2' ' OE1' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -67.23 -30.14 69.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.213 -179.182 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.503 ' OE1' ' HD2' ' B' ' 12' ' ' ARG . 52.5 mp0 -63.8 -40.95 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.846 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 7.0 t80 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.045 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.7 -39.89 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' B' ' 16' ' ' ARG . 14.6 mmt180 -63.89 -39.11 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.259 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.441 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -64.43 -34.9 79.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.801 0.334 . . . . 0.0 110.687 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.849 HG22 HD22 ' A' ' 20' ' ' LEU . 60.7 t -65.56 -44.93 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 121.609 0.718 . . . . 0.0 109.09 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' B' ' 27' ' ' TRP . 11.4 mm -69.88 -34.0 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.348 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 17' ' ' MET . 33.3 m -67.86 -35.66 78.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.884 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.34 -25.62 68.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.666 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.5 32.66 8.53 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.574 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.65 55.78 25.15 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.67 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -59.57 -50.43 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -173.86 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 111.595 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.777 ' HB2' HG21 ' B' ' 19' ' ' ILE . 32.2 m95 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 5.0 p-10 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.243 0.544 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' ' 19' ' ' ASP . 24.3 tp -73.11 -52.13 15.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.735 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.475 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 60.5 tt0 -90.08 -62.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.426 0.631 . . . . 0.0 112.078 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.6 m -56.06 -57.26 12.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.914 -1.039 . . . . 0.0 113.421 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HG ' ' HB3' ' A' ' 13' ' ' ASP . 26.2 tp -69.34 -14.72 63.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 18.8 t -64.28 -38.5 91.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 111.45 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 t -74.84 -32.05 61.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -83.18 -57.35 3.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.537 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -103.12 -59.8 1.65 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.347 -179.097 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.91 142.19 3.82 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.192 -1.004 . . . . 0.0 112.688 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.689 ' SG ' HD21 ' A' ' 20' ' ' LEU . 28.6 p -117.61 145.12 44.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -78.18 142.14 38.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.507 ' O ' HG21 ' B' ' 21' ' ' THR . 66.1 mtm -59.04 -39.32 81.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.83 0.348 . . . . 0.0 110.196 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -57.77 -41.02 81.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.46 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.574 ' HB3' HD13 ' A' ' 6' ' ' LEU . 10.2 m-20 -63.33 -39.32 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.849 HD22 HG22 ' B' ' 18' ' ' VAL . 90.2 mt -54.73 -31.32 58.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.561 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -52.11 -33.21 38.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.864 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.71 85.03 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HG ' HD21 ' A' ' 6' ' ' LEU . 84.5 mt -68.99 -40.2 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.577 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.546 ' HE1' ' HA3' ' A' ' 14' ' ' GLY . 7.5 t80 . . . . . 0 N--CA 1.447 -0.581 0 CA-C-O 120.558 0.218 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.93 -58.58 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.229 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -173.94 157.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 117.008 0.404 . . . . 0.0 111.483 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.683 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 54.5 mtt85 -83.54 130.57 35.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -136.74 136.87 39.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 64.5 m -139.17 168.37 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.098 0.475 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.35 -146.57 15.34 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.323 -0.853 . . . . 0.0 114.125 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.469 ' NE ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -71.07 -12.68 61.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.102 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.401 ' CD ' ' HE ' ' B' ' 12' ' ' ARG . 6.8 mp0 -68.28 -46.05 71.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 7' ' ' GLN . 34.0 t80 -61.62 -48.16 82.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.44 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.503 ' O ' HD13 ' B' ' 19' ' ' ILE . 1.8 mp -58.35 -47.21 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.452 ' NH2' HG12 ' B' ' 19' ' ' ILE . 1.6 tpm_? -63.33 -39.46 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.486 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -62.11 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.764 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.618 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 62.1 t -63.15 -42.98 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.503 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -65.13 -45.9 92.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.381 -1.282 . . . . 0.0 109.575 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 2.4 m-85 -55.94 -51.63 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.132 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 17' ' ' MET . 24.6 m -65.14 -31.76 73.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.015 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 t -69.83 -41.32 75.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.53 -37.36 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.22 56.72 6.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.815 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 23.9 m -150.31 -47.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 0.0 110.604 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.289 0.566 . . . . 0.0 109.726 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.462 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.221 0 CA-C-N 114.726 -1.125 . . . . 0.0 108.017 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 1.4 t70 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 121.197 0.522 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.2 mm? -91.27 -92.09 0.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 65.2 tp60 -42.97 -51.12 5.75 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.8 m -69.8 -60.43 2.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 27.4 tp -61.31 -41.99 97.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.589 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 79.7 m -60.14 -25.92 65.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.4 t -86.88 -44.96 11.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 m -68.12 -55.27 13.05 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.683 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 37.5 t70 -114.22 -35.36 5.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.293 0.568 . . . . 0.0 110.945 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.589 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.39 -166.64 12.37 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.037 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' HB2' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p -173.67 174.97 3.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -80.41 149.16 30.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.551 ' O ' HG21 ' B' ' 21' ' ' THR . 3.6 mpp? -58.11 -35.8 71.98 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 m -61.44 -31.18 71.12 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 15' ' ' CYS . 63.3 m-20 -59.85 -35.27 74.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.618 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.4 mp -61.66 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.433 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m -52.81 -31.94 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.07 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 6' ' ' LEU . 54.5 mt -68.31 -30.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 37.2 t . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.939 0.399 . . . . 0.0 111.002 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.631 ' HE1' ' H ' ' A' ' 17' ' ' MET . 53.9 p90 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.76 141.33 7.3 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.898 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.6 138.35 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.231 0.539 . . . . 0.0 110.58 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 mmt85 -73.53 120.16 18.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.943 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 35.0 mt -123.94 136.28 54.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.999 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 77.4 m -138.67 136.79 36.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.025 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.05 -120.19 10.43 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 114.92 0.728 . . . . 0.0 114.92 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.56 ' HE ' ' HA ' ' B' ' 12' ' ' ARG . 4.2 tpm_? -57.48 -41.26 80.31 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.121 0.568 . . . . 0.0 112.278 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.83 -42.64 98.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.637 ' CE2' ' HG3' ' A' ' 7' ' ' GLN . 42.4 t80 -58.44 -47.87 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.687 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.613 ' O ' HD13 ' B' ' 19' ' ' ILE . 50.5 mm -60.26 -45.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.988 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -63.16 -38.49 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.352 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.479 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.36 -34.38 78.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.015 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.61 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.8 t -65.14 -42.9 95.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.613 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.2 mp -64.2 -43.0 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.047 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.93 -36.21 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -61.11 -35.74 77.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 m -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.53 30.72 78.65 Favored Glycine 0 C--N 1.33 0.227 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.0 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.679 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.83 28.19 52.04 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.446 -0.407 . . . . 0.0 112.892 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 42.1 m -92.11 28.32 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 111.267 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -177.08 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.42 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.679 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.071 -1.443 . . . . 0.0 108.426 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' A' ' 9' ' ' LEU . 13.9 p-10 . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.991 0.425 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.7 tp -81.69 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.707 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.637 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 15.7 tt0 -76.55 -57.24 3.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.268 0.556 . . . . 0.0 112.089 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -56.9 -47.28 80.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.234 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.642 HD13 ' HA ' ' A' ' 5' ' ' ASP . 9.2 mp -93.22 26.74 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 13.6 t -68.86 -38.58 79.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.27 0.557 . . . . 0.0 109.812 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.54 ' O ' ' HD2' ' B' ' 8' ' ' ARG . 66.7 m -73.47 -22.18 60.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.444 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -87.23 -52.39 5.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.77 -64.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.491 . . . . 0.0 111.182 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.74 113.92 1.67 Allowed Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' B' ' 9' ' ' LEU . 87.7 m -67.71 147.41 52.69 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.8 m -120.3 147.19 45.32 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.953 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.631 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 59.5 ttp -53.46 -38.49 63.63 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.273 0.358 . . . . 0.0 111.514 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -48.59 80.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.876 0.37 . . . . 0.0 111.596 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.99 -42.38 94.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.458 0.647 . . . . 0.0 110.28 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.61 ' HG ' HG22 ' B' ' 18' ' ' VAL . 7.2 mp -64.68 -24.85 67.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.053 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -56.22 -38.44 71.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.411 . . . . 0.0 110.455 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.14 71.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.993 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.81 -42.64 70.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 179.52 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 9.1 p90 . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.33 150.39 19.54 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.639 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.12 144.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.756 0.312 . . . . 0.0 110.29 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 68.0 mtt85 -80.9 120.33 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.825 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 49.2 mt -125.79 131.77 52.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.522 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' B' ' 13' ' ' GLU . 1.5 m -152.13 163.94 38.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.755 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.18 -137.7 49.65 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.159 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.834 ' H ' ' HD3' ' B' ' 12' ' ' ARG . 0.1 OUTLIER -64.82 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.758 0.313 . . . . 0.0 110.286 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 10' ' ' CYS . 9.3 mp0 -62.04 -45.16 94.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.244 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.542 ' O ' HG23 ' B' ' 18' ' ' VAL . 43.2 t80 -60.54 -53.79 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.144 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.535 ' O ' HG12 ' B' ' 19' ' ' ILE . 1.9 mp -59.11 -43.08 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.763 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.821 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 2.0 tpm_? -62.13 -46.61 88.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.028 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.33 88.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.317 0.386 . . . . 0.0 111.676 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.546 HG22 HD22 ' A' ' 20' ' ' LEU . 96.1 t -65.34 -42.88 94.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.752 HG21 ' HB2' ' B' ' 27' ' ' TRP . 6.6 mm -70.61 -34.96 59.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.394 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.502 HG21 ' O ' ' A' ' 17' ' ' MET . 38.9 m -68.71 -35.63 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.009 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.53 -20.23 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.46 29.58 26.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.233 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.04 53.92 38.95 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.78 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -53.67 -54.37 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -171.35 53.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.314 0.578 . . . . 0.0 111.015 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.752 ' HB2' HG21 ' B' ' 19' ' ' ILE . 37.4 m95 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.105 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.978 0.418 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 26.5 tp -66.42 -58.39 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -90.43 -61.85 1.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -54.81 -52.84 61.44 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CB ' ' HA ' ' A' ' 5' ' ' ASP . 22.2 tp -79.02 -6.95 57.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 13.2 t -63.83 -36.68 84.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -43.25 66.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.133 0.492 . . . . 0.0 110.96 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.504 ' HB ' HD12 ' A' ' 9' ' ' LEU . 5.9 m -73.96 -47.51 36.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.397 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.542 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 16.9 t70 -114.1 -65.93 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.638 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.84 153.28 6.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.918 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.5 p -133.7 143.46 48.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.091 0.472 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' B' ' 5' ' ' TYR . 17.8 m -80.94 148.07 29.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.511 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.502 ' O ' HG21 ' B' ' 21' ' ' THR . 4.7 ppp? -61.94 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.206 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -59.22 -36.86 76.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.039 0.447 . . . . 0.0 110.513 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.466 ' HB3' HD13 ' A' ' 6' ' ' LEU . 7.0 m-20 -63.63 -38.94 93.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.502 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.546 HD22 HG22 ' B' ' 18' ' ' VAL . 73.4 mt -55.65 -31.58 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.739 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -50.88 -35.85 34.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.024 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.09 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.6 -39.02 74.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HB2' HG12 ' B' ' 18' ' ' VAL . 37.7 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 120.94 0.4 . . . . 0.0 110.396 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 p90 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.26 159.25 31.0 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.094 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.13 149.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 10' ' ' CYS . 22.7 mmt85 -70.69 116.85 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.765 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 45.7 mt -132.7 131.67 41.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -141.05 144.01 34.71 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.911 0.386 . . . . 0.0 111.682 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.542 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 57.23 -138.12 48.33 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.723 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.576 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 25.9 tpt180 -61.3 -26.74 67.99 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 122.137 0.175 . . . . 0.0 111.194 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -64.55 -42.61 95.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.765 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 43.6 t80 -63.86 -43.02 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.633 HG23 ' CZ3' ' B' ' 27' ' ' TRP . 46.5 mm -56.85 -48.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.409 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 39.0 mtm105 -61.36 -35.4 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.074 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.75 83.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.826 0.346 . . . . 0.0 110.283 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.683 HG22 ' HG ' ' A' ' 20' ' ' LEU . 65.0 t -65.48 -43.98 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.519 HD11 ' CE2' ' B' ' 27' ' ' TRP . 8.8 mm -68.4 -34.86 68.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.952 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -39.9 83.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -62.85 -41.68 99.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.735 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 10.7 m -81.99 -23.15 36.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.201 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.56 37.32 40.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.76 139.9 8.35 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -152.92 -87.0 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.637 0.719 . . . . 0.0 112.403 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -142.4 18.93 2.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.394 0.14 . . . . 0.0 110.706 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.731 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 2.3 p-90 . . . . . 0 C--O 1.254 1.338 0 CA-C-O 118.841 -0.6 . . . . 0.0 109.576 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.887 ' HA ' HD13 ' A' ' 9' ' ' LEU . 6.8 t70 . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 121.484 0.659 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 1.6 mm? -68.09 -58.07 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -90.9 -59.41 2.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.5 m -48.5 -53.1 19.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.565 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.887 HD13 ' HA ' ' A' ' 5' ' ' ASP . 11.0 mp -71.82 -29.23 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 28.4 t -59.14 -40.32 85.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.0 0.429 . . . . 0.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m -68.02 -25.65 65.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.165 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -82.42 -49.03 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.374 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.29 -70.34 0.79 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.94 138.08 2.33 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' B' ' 9' ' ' LEU . 7.9 p -107.94 144.1 35.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.43 . . . . 0.0 111.841 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.568 ' O ' HD13 ' A' ' 20' ' ' LEU . 30.8 t -83.64 145.41 28.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttp -56.24 -36.35 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.282 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -61.7 -40.02 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.309 0.576 . . . . 0.0 111.276 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.69 -40.21 94.99 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.243 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.683 ' HG ' HG22 ' B' ' 18' ' ' VAL . 8.3 mp -58.06 -33.78 69.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.926 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -53.12 -33.62 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.96 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -36.28 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.731 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 48.7 t . . . . . 0 C--O 1.239 0.53 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.8 p90 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.57 134.6 2.94 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.112 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -80.29 137.3 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 110.238 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -82.5 117.62 22.64 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.155 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 12.5 mt -116.74 136.12 53.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.2 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.46 144.19 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.165 0.507 . . . . 0.0 112.042 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.72 -122.3 8.9 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.435 -0.802 . . . . 0.0 114.609 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.533 ' CD ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -55.98 -44.56 78.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.093 -0.553 . . . . 0.0 111.273 -179.196 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.43 ' OE2' ' HB2' ' B' ' 12' ' ' ARG . 2.7 mp0 -60.56 -40.83 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.554 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.647 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 15.3 t80 -61.55 -53.48 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.946 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.464 HG23 ' CZ3' ' B' ' 27' ' ' TRP . 1.7 mp -59.56 -42.41 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.079 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.875 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 0.9 OUTLIER -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 -178.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.52 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -62.87 -35.58 80.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.785 0.326 . . . . 0.0 111.41 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.786 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 99.2 t -63.56 -42.01 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.484 HG13 HH21 ' B' ' 16' ' ' ARG . 16.1 mm -74.27 -36.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.387 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 0.9 OUTLIER -55.62 -38.86 70.03 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 109.186 178.167 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -62.64 -37.29 85.77 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.285 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 18.1 m -85.95 -9.45 56.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.381 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.67 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.129 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.2 63.52 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -60.62 -46.78 88.99 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -170.8 -45.75 0.02 OUTLIER 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.299 -0.56 . . . . 0.0 112.421 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.464 ' CZ3' HG23 ' B' ' 15' ' ' ILE . 3.6 p-90 . . . . . 0 C--O 1.251 1.179 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--O 1.222 -0.349 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 19' ' ' ASP . 13.9 tp -66.98 -58.51 4.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.084 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' HG2' ' CE2' ' B' ' 14' ' ' PHE . 8.4 tm0? -68.43 -54.84 14.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.327 0.584 . . . . 0.0 111.854 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -66.29 -47.19 74.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.594 ' HG ' ' HB ' ' A' ' 12' ' ' THR . 1.4 tp -84.46 23.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.92 -29.51 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.752 -0.593 . . . . 0.0 109.945 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.0 m -81.17 -40.51 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.736 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.594 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 3.0 m -84.05 -45.49 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -89.26 -50.23 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.724 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.88 131.16 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.5 m -120.75 137.12 54.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.199 0.523 . . . . 0.0 112.202 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.574 ' O ' HD22 ' A' ' 20' ' ' LEU . 37.7 t -86.85 163.56 17.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.57 -34.82 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 109.98 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.648 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 6' ' ' LEU . 25.2 m-20 -64.15 -44.98 90.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.262 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.786 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 0.5 OUTLIER -64.82 -29.55 70.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.197 -179.78 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.3 m -53.97 -40.33 66.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.59 73.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.915 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.97 -42.4 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.74 ' HB2' HG12 ' B' ' 18' ' ' VAL . 9.3 t . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.957 0.408 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 p90 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.16 140.2 6.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.342 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.83 143.43 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.715 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 59.8 mtt85 -73.56 121.81 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.811 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.4 mt -125.67 134.46 51.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.823 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 73.0 m -140.1 146.85 39.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.795 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.15 -128.97 45.15 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.977 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.437 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 2.4 mtm180 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.467 -0.366 . . . . 0.0 111.204 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 10' ' ' CYS . 1.1 mm-40 -61.67 -41.29 97.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.811 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.5 t80 -59.81 -53.58 56.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.201 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -62.68 -41.3 91.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -60.67 -44.65 96.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.54 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.41 80.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.825 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.94 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.9 t -66.51 -45.12 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.483 HG21 ' OXT' ' B' ' 27' ' ' TRP . 8.1 mm -67.5 -34.51 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.071 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -45.19 86.78 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.425 HG21 ' O ' ' A' ' 17' ' ' MET . 35.6 m -67.2 -35.63 80.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.376 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.1 t -64.99 -30.13 71.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.05 -33.17 0.87 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.283 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.59 53.01 37.88 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.641 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -153.89 -47.05 0.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtt85 -64.78 -29.84 70.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.03 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.483 ' OXT' HG21 ' B' ' 19' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.874 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.994 0.426 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 tp -97.54 -24.23 15.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.968 0.413 . . . . 0.0 110.314 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -92.8 -60.56 1.78 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.473 0.654 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -72.04 -50.72 26.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 28.3 mt -56.97 -15.94 5.95 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 87.0 m -62.92 -38.89 92.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.65 -38.6 28.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.157 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -62.34 -47.71 83.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.929 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.715 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 42.9 t0 -135.71 -54.2 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.787 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.37 161.3 10.12 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.004 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.6 m -136.97 139.99 41.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' HD13 ' A' ' 20' ' ' LEU . 42.8 t -89.89 156.78 18.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.265 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.425 ' O ' HG21 ' B' ' 21' ' ' THR . 3.2 mpp? -57.6 -31.36 66.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -59.94 -42.21 93.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.379 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -67.95 -42.41 80.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.674 0.75 . . . . 0.0 109.283 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.94 ' HG ' HG22 ' B' ' 18' ' ' VAL . 6.2 mp -60.46 -29.23 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.598 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 m -56.97 -30.96 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.459 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.79 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.49 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -74.64 -36.64 62.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' B' ' 22' ' ' CYS . 5.3 t . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 20.4 p90 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.99 134.3 2.99 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.183 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -93.18 145.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -72.26 116.74 13.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.96 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 72.9 mt -132.6 137.23 46.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -142.24 146.02 34.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.001 0.429 . . . . 0.0 111.447 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.95 -136.3 45.72 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.561 -0.745 . . . . 0.0 114.405 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 0.0 OUTLIER -68.99 -25.66 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.153 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -64.64 -38.62 91.61 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.96 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 1.6 t80 -61.71 -47.9 83.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.82 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.535 ' O ' HD13 ' B' ' 19' ' ' ILE . 60.8 mt -58.77 -37.72 67.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.391 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 57.3 mtt180 -55.33 -46.97 76.32 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 121.276 -0.17 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.418 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -64.64 -38.68 91.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.249 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.703 HG22 ' HB3' ' A' ' 20' ' ' LEU . 66.7 t -62.55 -43.57 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.923 0.868 . . . . 0.0 108.993 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.535 HD13 ' O ' ' B' ' 15' ' ' ILE . 0.5 OUTLIER -65.98 -46.58 87.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.2 -47.49 75.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.788 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.418 ' OG1' ' HB3' ' A' ' 17' ' ' MET . 24.0 m -66.87 -33.79 76.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 t -73.06 -42.06 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.235 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.58 -47.42 1.04 Allowed Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.609 ' HA2' ' HZ2' ' B' ' 27' ' ' TRP . . . 158.05 146.35 4.49 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.105 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.9 p -168.54 -99.95 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.712 0.256 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' B' ' 27' ' ' TRP . 6.9 tpp180 -150.36 115.28 5.31 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.347 0.594 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.609 ' HZ2' ' HA2' ' B' ' 24' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.355 0 CA-C-N 114.44 -1.255 . . . . 0.0 108.989 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.553 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 24.5 t70 . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 15' ' ' CYS . 2.6 mm? -61.77 -42.17 98.64 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.283 0.563 . . . . 0.0 110.292 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -84.71 -50.88 7.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.445 0.641 . . . . 0.0 110.694 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 m -77.23 -70.35 0.47 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 9.0 mp -63.29 -26.29 68.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.2 t -54.91 -36.45 65.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 118.181 0.446 . . . . 0.0 112.165 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -74.15 -24.67 59.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.148 0.499 . . . . 0.0 109.716 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 m -83.47 -50.89 7.84 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.845 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.89 -65.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.692 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.1 -179.36 39.71 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' B' ' 9' ' ' LEU . 21.9 p -157.03 134.29 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 110.098 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.634 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -82.15 144.16 30.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.305 -178.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.537 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.1 mpp? -57.31 -32.96 67.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.626 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 p -60.06 -44.45 94.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.417 0.627 . . . . 0.0 111.16 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' HB3' HD11 ' A' ' 6' ' ' LEU . 1.4 m-20 -68.8 -34.87 76.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.703 ' HB3' HG22 ' B' ' 18' ' ' VAL . 64.6 mt -62.89 -35.56 80.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.084 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.8 m -49.19 -37.74 23.67 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 6' ' ' LEU . 93.0 mt -66.16 -36.35 82.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 p90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.638 0.256 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.65 145.24 9.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.927 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -94.16 148.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -70.49 113.92 8.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 48.2 mt -134.46 140.1 45.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 95.6 m -144.59 160.57 40.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 111.881 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.57 -125.46 3.45 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 114.933 -1.031 . . . . 0.0 115.614 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -69.5 -33.2 72.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.793 -0.703 . . . . 0.0 111.647 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' B' ' 13' ' ' GLU . 2.3 mp0 -62.82 -43.07 99.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.42 0.628 . . . . 0.0 109.306 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 20.4 t80 -61.12 -52.87 63.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.511 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 31.3 mt -61.63 -36.32 72.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -37.14 86.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.005 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -66.89 -33.55 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.753 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.823 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.6 t -63.58 -42.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.887 HG21 ' HB2' ' B' ' 27' ' ' TRP . 11.3 mm -70.26 -33.82 56.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.178 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.0 OUTLIER -58.3 -44.66 88.66 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -67.9 -35.87 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.754 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -5.27 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.031 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.37 68.3 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 113.143 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.86 49.2 72.67 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.439 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 20.1 p -64.46 -35.44 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 24.9 ptt-85 -167.2 44.65 0.05 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.887 ' HB2' HG21 ' B' ' 19' ' ' ILE . 36.5 m95 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.488 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.822 ' HA ' HD13 ' A' ' 9' ' ' LEU . 11.3 p-10 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.996 0.427 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 20.4 tp -86.82 -50.48 6.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.703 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -90.11 -57.17 2.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 112.069 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.6 m -52.96 -51.25 62.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.008 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' HA ' ' A' ' 5' ' ' ASP . 10.6 mp -70.52 -22.17 62.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 111.399 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 10.9 t -68.61 -36.46 78.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.166 0.508 . . . . 0.0 110.037 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.2 m -68.09 -35.36 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.883 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -80.78 -59.09 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -55.13 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.47 159.22 8.63 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.644 -1.265 . . . . 0.0 113.276 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' A' ' 20' ' ' LEU . 19.9 p -129.8 139.54 51.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.815 0.34 . . . . 0.0 110.126 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.558 ' O ' HD13 ' A' ' 20' ' ' LEU . 37.6 t -76.5 144.28 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.147 0.498 . . . . 0.0 111.267 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttm -55.72 -42.98 76.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.404 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.2 p -58.11 -42.58 86.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.743 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.93 -35.11 80.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.715 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HG ' HG22 ' B' ' 18' ' ' VAL . 6.1 mp -55.96 -34.42 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.326 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -50.19 -31.1 12.87 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.76 84.45 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HG ' HD23 ' A' ' 6' ' ' LEU . 61.5 mt -68.17 -40.58 82.25 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.871 0.367 . . . . 0.0 110.937 -179.567 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.8 p90 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.02 137.14 4.54 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.476 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.32 141.93 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 10' ' ' CYS . 34.3 ttm180 -75.54 125.61 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -135.13 140.54 45.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.65 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -144.63 173.19 12.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.085 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.435 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 47.98 -134.32 17.18 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.829 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.067 -0.567 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.16 -45.91 91.33 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.508 ' O ' HG23 ' B' ' 18' ' ' VAL . 28.8 t80 -62.24 -48.97 77.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.778 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.435 HG12 ' O ' ' B' ' 11' ' ' GLY . 50.8 mm -57.62 -43.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.079 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' B' ' 16' ' ' ARG . 4.7 mmp_? -66.46 -40.92 89.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.247 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.19 86.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.726 0.298 . . . . 0.0 111.314 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 14' ' ' PHE . 83.2 t -64.73 -43.43 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.509 0.671 . . . . 0.0 109.32 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.42 HG12 ' O ' ' B' ' 15' ' ' ILE . 6.0 mm -72.11 -35.51 53.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.639 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -47.59 82.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.469 HG21 ' O ' ' A' ' 17' ' ' MET . 30.4 m -67.54 -33.78 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.149 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.65 -28.17 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.865 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.39 16.89 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.059 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.9 53.16 44.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.215 -0.517 . . . . 0.0 113.159 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -65.53 -35.4 80.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 24.97 0.11 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.263 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.454 ' N ' ' CD1' ' B' ' 27' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.493 -1.242 . . . . 0.0 109.187 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.6 t0 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.4 0.619 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.7 mm? -64.93 -41.52 95.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.15 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -80.84 -39.72 26.1 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.632 0.73 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.2 m -89.08 -68.13 0.79 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.96 -36.21 67.57 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 81.0 m -59.32 -35.0 73.01 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.18 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 17.1 m -81.26 -27.77 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.958 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -78.37 -48.73 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.068 0.461 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.41 -71.32 0.74 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.249 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' B' ' 8' ' ' ARG . . . 154.82 164.86 13.36 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -141.72 158.88 43.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.814 0.807 . . . . 0.0 111.746 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.2 t -84.41 158.92 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.986 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.514 ' HE2' HD22 ' A' ' 20' ' ' LEU . 20.3 mmt -60.51 -33.28 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 p -61.81 -37.35 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.07 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 6' ' ' LEU . 53.4 m-20 -63.43 -47.29 82.54 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.577 0.703 . . . . 0.0 109.627 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.514 HD22 ' HE2' ' A' ' 17' ' ' MET . 11.0 mp -60.3 -31.19 70.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.033 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -54.13 -33.12 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.95 90.23 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 6' ' ' LEU . 35.5 mt -65.96 -40.38 91.25 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 -179.485 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 p90 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLY . . . . . 0.522 ' HA2' ' OG ' ' A' ' 16' ' ' SER . . . -175.16 125.55 1.09 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.451 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' SER . 7.2 p -87.74 138.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -89.21 121.17 31.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.0 mt -131.92 141.76 49.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.618 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.19 163.7 29.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.901 0.382 . . . . 0.0 111.659 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.29 -121.41 0.83 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' B' ' 15' ' ' ILE . 16.7 mmp_? -71.42 -32.95 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.869 -0.666 . . . . 0.0 111.569 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.502 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.1 mp0 -62.47 -43.28 99.2 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 37.5 t80 -59.17 -55.83 29.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.551 ' O ' HD13 ' B' ' 19' ' ' ILE . 10.3 tp -61.99 -39.47 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.494 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.642 ' NH2' HG12 ' B' ' 19' ' ' ILE . 5.2 mmp_? -65.6 -37.75 87.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.966 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.499 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -62.87 -34.35 77.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.738 0.304 . . . . 0.0 110.468 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.807 HG22 HD22 ' A' ' 20' ' ' LEU . 88.2 t -63.89 -43.22 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.642 HG12 ' NH2' ' B' ' 16' ' ' ARG . 1.7 mp -66.99 -43.4 89.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.727 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.62 -48.5 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.542 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 17' ' ' MET . 28.7 m -66.2 -36.91 84.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.518 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.93 -39.58 87.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.76 -22.98 4.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.582 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' OXT' ' B' ' 27' ' ' TRP . . . 68.73 32.89 74.74 Favored Glycine 0 C--O 1.229 -0.206 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.785 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -98.44 32.91 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.897 0.38 . . . . 0.0 111.252 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -172.29 -33.88 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.41 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.502 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.429 -0.805 . . . . 0.0 108.982 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 7.6 t70 . . . . . 0 C--O 1.224 -0.241 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 38.3 tp -64.06 -47.61 79.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.302 0.572 . . . . 0.0 109.811 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 59.9 tt0 -80.02 -55.72 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 m -67.59 -52.31 40.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.0 mp -81.69 35.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 51.1 t -81.83 -35.57 29.27 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -68.68 -35.73 77.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.18 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -73.9 -55.78 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -67.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.798 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.08 134.22 1.73 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.798 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' B' ' 9' ' ' LEU . 6.0 p -93.52 -24.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.843 -0.21 . . . . 0.0 111.485 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.71 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.8 m 68.94 142.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.556 0.693 . . . . 0.0 112.239 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.573 ' O ' HG21 ' B' ' 21' ' ' THR . 2.3 mpp? -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.789 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -51.34 -47.84 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.702 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.85 -35.57 77.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.437 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.807 HD22 HG22 ' B' ' 18' ' ' VAL . 71.1 mt -55.13 -32.11 61.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.751 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -52.32 -40.75 62.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.1 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.41 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.453 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 42.7 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.461 . . . . 0.0 110.638 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.486 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 54.4 p90 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.8 144.62 8.88 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.908 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.4 148.23 8.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.7 0.286 . . . . 0.0 110.236 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.83 121.62 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.994 0.426 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.545 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 56.0 mt -125.88 127.99 46.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 83.5 m -138.32 143.74 40.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 -130.19 20.0 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.274 -0.875 . . . . 0.0 114.807 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.494 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 24.6 mtm180 -52.28 -40.8 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.421 0.688 . . . . 0.0 111.606 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -60.65 -44.75 96.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.5 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.545 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 14.2 t80 -62.83 -48.72 77.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.611 ' O ' HD13 ' B' ' 19' ' ' ILE . 1.8 mp -60.11 -46.21 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.487 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.445 ' NH2' HG21 ' B' ' 19' ' ' ILE . 1.0 OUTLIER -63.8 -36.58 84.38 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.326 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.34 90.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.771 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.669 HG22 ' HG ' ' A' ' 20' ' ' LEU . 81.4 t -63.84 -42.08 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.611 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -64.95 -40.94 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.429 -1.26 . . . . 0.0 109.696 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.98 -36.28 74.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.838 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -64.43 -32.59 74.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.738 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 60.1 m -74.21 -11.07 60.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.546 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.29 27.18 73.15 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.557 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 54.8 30.33 52.28 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.9 m -95.18 27.95 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.626 0.251 . . . . 0.0 111.649 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 53.0 ttp85 -176.21 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.549 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.176 -1.392 . . . . 0.0 109.56 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.63 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 109.919 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -78.04 -91.38 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 178.557 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 38.9 tt0 -52.26 -55.67 19.77 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -57.74 -39.53 77.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.7 mp -95.56 17.58 14.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.7 m -72.31 -44.88 62.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.6 m -81.94 -38.23 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -48.89 54.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.854 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -109.19 -68.65 0.9 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.196 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.86 137.86 2.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.183 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 89.7 m -120.03 140.5 50.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.171 0.51 . . . . 0.0 111.386 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.486 ' HG ' ' HE2' ' B' ' 5' ' ' TYR . 46.7 t -110.37 161.33 15.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.025 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.414 ' H ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -60.72 -24.33 65.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.255 0.55 . . . . 0.0 110.108 178.767 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -62.33 -43.65 98.33 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.783 ' HB3' HD21 ' A' ' 6' ' ' LEU . 1.3 m-20 -75.38 -40.75 57.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 110.519 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.669 ' HG ' HG22 ' B' ' 18' ' ' VAL . 7.3 mp -57.86 -23.34 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -53.65 -40.04 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.54 88.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 -32.2 67.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.359 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.819 179.345 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 32.2 p90 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.51 150.36 9.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.64 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -134.82 142.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -71.11 108.55 4.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.717 0.294 . . . . 0.0 111.214 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 40.6 mt -133.73 131.12 39.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.67 164.32 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.999 0.428 . . . . 0.0 111.674 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.535 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 55.22 -137.98 43.84 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.444 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.97 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 13' ' ' GLU . 3.1 mp0 -65.31 -42.04 93.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.349 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.528 ' O ' HG23 ' B' ' 18' ' ' VAL . 32.9 t80 -62.82 -46.15 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.489 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.535 HG12 ' O ' ' B' ' 11' ' ' GLY . 10.9 mm -59.17 -45.54 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.299 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.529 ' HA ' ' HD3' ' B' ' 16' ' ' ARG . 14.0 mmt180 -64.23 -38.57 91.51 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' B' ' 9' ' ' LEU . . . -64.47 -38.25 90.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.728 0.299 . . . . 0.0 110.947 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.89 HG22 ' HG ' ' A' ' 20' ' ' LEU . 86.8 t -66.54 -43.88 90.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.532 0.682 . . . . 0.0 109.38 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.802 HG21 ' HB2' ' B' ' 27' ' ' TRP . 10.6 mm -70.51 -34.48 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.715 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -46.43 87.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.545 HG21 ' O ' ' A' ' 17' ' ' MET . 34.8 m -68.92 -35.84 77.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.149 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.12 -26.48 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.604 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.11 37.61 6.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.776 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.71 53.65 36.71 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 3.7 p -58.24 -47.77 82.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -173.34 37.84 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.201 0.524 . . . . 0.0 111.248 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.802 ' HB2' HG21 ' B' ' 19' ' ' ILE . 7.0 m95 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.7 p-10 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 121.294 0.569 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 56.2 tp -77.46 -76.33 0.18 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.308 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 17.6 tt0 -69.96 -58.27 4.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.6 m -54.36 -48.86 70.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.908 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 5' ' ' ASP . 92.5 mt -94.2 25.32 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 29.7 t -73.94 -37.6 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.797 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.78 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.429 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -75.45 -58.98 2.95 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -106.03 -61.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.214 0.53 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.65 134.91 2.83 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.095 -1.05 . . . . 0.0 112.614 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.662 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 9.5 p -96.5 129.7 43.81 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.266 0.555 . . . . 0.0 110.749 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.521 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.4 m -69.93 133.45 47.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.269 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.545 ' O ' HG21 ' B' ' 21' ' ' THR . 4.4 ppp? -63.14 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.716 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -60.96 -38.95 87.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.307 0.575 . . . . 0.0 110.019 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.92 -35.41 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.833 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.89 ' HG ' HG22 ' B' ' 18' ' ' VAL . 4.3 mp -57.45 -26.56 61.38 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.278 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -53.74 -38.55 64.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 111.467 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.83 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.053 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.97 -38.79 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.597 ' HB2' HG12 ' B' ' 18' ' ' VAL . 44.7 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.331 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' SER . 32.6 p90 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 138.85 5.89 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 119.516 -1.326 . . . . 0.0 113.16 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -112.96 145.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' B' ' 8' ' ' ARG . 20.7 mmt85 -75.81 107.07 7.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.036 0.446 . . . . 0.0 111.143 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 15' ' ' CYS . 49.5 mt -120.57 130.76 54.34 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 m -129.71 133.37 47.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.0 112.419 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.41 -123.72 19.74 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.003 -0.999 . . . . 0.0 114.647 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.552 ' HE ' ' HA ' ' B' ' 12' ' ' ARG . 4.6 tpm_? -50.22 -41.57 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.434 0.694 . . . . 0.0 112.409 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.57 -38.69 92.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.377 0.423 . . . . 0.0 111.611 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.558 ' O ' HG23 ' B' ' 18' ' ' VAL . 22.1 t80 -59.18 -47.04 86.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.92 -45.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.934 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -62.04 -42.34 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.726 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -63.43 -35.83 81.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.793 HG22 ' HG ' ' A' ' 20' ' ' LEU . 93.3 t -65.93 -44.38 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' TRP . 6.2 mm -69.8 -39.65 78.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.424 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.37 -48.01 74.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.255 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.572 HG21 ' O ' ' A' ' 17' ' ' MET . 21.7 m -70.62 -34.8 72.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.267 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.94 -27.01 67.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.39 78.03 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.95 36.75 89.46 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.298 -0.451 . . . . 0.0 112.309 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -114.72 -32.99 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.851 0.358 . . . . 0.0 110.455 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.404 ' O ' HG23 ' B' ' 19' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.257 1.457 0 CA-C-O 117.047 -1.454 . . . . 0.0 107.963 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.569 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 6.5 p-10 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 121.02 0.438 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 19' ' ' ASP . 48.4 tp -70.3 -66.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.747 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -76.82 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 112.138 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -58.34 -52.75 64.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.118 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -94.98 34.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -69.86 -37.46 76.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.499 0.666 . . . . 0.0 109.686 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.16 -31.29 65.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -84.39 -50.06 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -106.79 -63.46 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.17 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.18 143.05 3.74 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.679 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 29.2 p -127.58 143.96 51.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.555 ' O ' HD13 ' A' ' 20' ' ' LEU . 12.1 t -82.99 141.61 31.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.572 ' O ' HG21 ' B' ' 21' ' ' THR . 62.6 mtm -65.73 -32.92 74.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -65.85 -40.89 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 109.763 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.609 ' HB3' HD21 ' A' ' 6' ' ' LEU . 1.1 m-20 -67.04 -36.82 82.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.627 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.793 ' HG ' HG22 ' B' ' 18' ' ' VAL . 4.8 mp -62.02 -28.43 69.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.405 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -56.39 -40.43 74.6 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.921 0.391 . . . . 0.0 110.527 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.15 -34.23 74.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.993 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.56 -35.42 80.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.426 179.688 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' SER . 26.0 t80 . . . . . 0 N--CA 1.444 -0.745 0 CA-C-O 121.086 0.47 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.47 121.74 1.01 Allowed Glycine 0 N--CA 1.435 -1.401 0 C-N-CA 120.244 -0.979 . . . . 0.0 112.968 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.402 ' N ' ' H ' ' A' ' 15' ' ' CYS . 5.4 p -108.68 142.39 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 13' ' ' ASP . 56.2 mtt85 -65.94 120.93 13.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.162 0.505 . . . . 0.0 111.314 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.842 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 39.3 mt -127.91 124.26 36.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.855 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 58.2 m -136.4 144.41 44.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.178 0.513 . . . . 0.0 112.269 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.22 -126.9 37.74 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.938 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.491 ' HD2' ' O ' ' B' ' 12' ' ' ARG . 6.8 tmm_? -59.35 -39.9 84.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.976 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.19 -41.76 99.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.93 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.842 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.6 t80 -58.17 -53.7 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.285 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.53 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.586 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.69 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 3.4 tpm_? -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -61.39 -36.35 80.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 24' ' ' CYS . 84.2 t -62.52 -41.07 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.661 HG13 HH21 ' B' ' 16' ' ' ARG . 11.4 mm -70.25 -37.93 72.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.127 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.2 m-85 -54.79 -39.68 68.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.481 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 94.2 m -63.64 -41.99 98.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.65 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' CYS . . . . . 0.432 ' HB3' ' OG ' ' B' ' 25' ' ' SER . 2.6 m -74.58 -32.06 62.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.447 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.32 37.37 11.06 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.067 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.84 48.47 83.64 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.491 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' B' ' 22' ' ' CYS . 1.1 m -74.21 0.86 12.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.408 ' HG3' ' HD1' ' B' ' 27' ' ' TRP . 2.9 ptt-85 -170.09 -36.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.408 ' HD1' ' HG3' ' B' ' 26' ' ' ARG . 6.6 p-90 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 117.085 -1.436 . . . . 0.0 108.764 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.747 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 5.8 t70 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 19' ' ' ASP . 12.9 tp -63.42 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -91.98 -46.98 7.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.446 0.641 . . . . 0.0 110.906 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.9 m -85.49 -69.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.747 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mm? -52.03 -31.76 31.21 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 66.1 m -59.72 -34.47 72.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.89 -36.03 25.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.482 0.658 . . . . 0.0 109.504 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -64.91 -43.72 91.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.709 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.695 ' HA ' ' CZ ' ' B' ' 8' ' ' ARG . 38.8 t70 -137.83 -47.54 0.55 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 10' ' ' CYS . . . -179.09 156.82 19.54 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 118.666 -1.73 . . . . 0.0 114.484 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -138.86 141.69 38.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.368 -0.416 . . . . 0.0 111.169 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.2 t -98.51 147.63 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.501 ' HA ' HD12 ' A' ' 20' ' ' LEU . 69.2 mtm -63.09 -36.86 84.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -61.47 -35.66 78.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.65 ' HB3' HD13 ' A' ' 6' ' ' LEU . 1.8 m-20 -69.76 -43.26 72.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.061 0.458 . . . . 0.0 109.853 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.752 HD22 HG22 ' B' ' 18' ' ' VAL . 86.8 mt -54.07 -32.31 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.818 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -53.14 -33.38 52.17 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.686 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.61 92.76 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 6' ' ' LEU . 93.3 mt -69.87 -39.09 76.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.798 ' HB2' HG12 ' B' ' 18' ' ' VAL . 40.3 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 16' ' ' SER . 43.4 p90 . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.78 155.68 26.81 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.482 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.54 150.19 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -68.17 120.53 14.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.583 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 33.8 mt -134.53 130.85 37.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -141.5 140.67 33.56 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.38 -123.85 8.76 Favored Glycine 0 C--N 1.333 0.41 0 CA-C-N 114.746 -1.115 . . . . 0.0 114.874 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -52.09 -43.91 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.825 -0.688 . . . . 0.0 112.385 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -41.35 91.23 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.244 0.545 . . . . 0.0 110.142 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.505 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.3 t80 -59.35 -49.9 76.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.862 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.0 -39.78 86.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.053 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -65.07 -38.66 91.52 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.678 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.62 77.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.522 HG12 ' HB2' ' A' ' 24' ' ' CYS . 92.2 t -64.12 -44.45 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 109.377 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.556 HD12 ' HB2' ' B' ' 25' ' ' SER . 13.8 mm -69.95 -40.64 78.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.81 88.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.353 0.597 . . . . 0.0 109.567 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 17' ' ' MET . 24.6 m -71.07 -33.14 69.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.425 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.04 -39.15 88.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.1 -47.33 1.03 Allowed Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.141 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.13 55.44 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.044 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.556 ' HB2' HD12 ' B' ' 19' ' ' ILE . 1.8 m -64.52 152.93 40.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -99.01 51.39 0.96 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.449 ' NE1' ' HB3' ' B' ' 25' ' ' SER . 34.5 p-90 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 117.742 -1.123 . . . . 0.0 109.085 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.732 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.1 mm? -68.64 -32.39 72.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.264 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -86.3 -50.82 6.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.123 0.487 . . . . 0.0 111.447 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 m -90.6 -61.39 1.69 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD12 ' HB ' ' A' ' 12' ' ' THR . 15.6 tp -55.54 -32.52 63.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.732 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 74.1 m -59.49 -34.35 72.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.869 0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -82.37 -32.34 29.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.069 0.461 . . . . 0.0 110.197 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.46 ' HB ' HD12 ' A' ' 9' ' ' LEU . 5.2 m -71.36 -48.87 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.659 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.24 -66.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.52 153.49 6.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.0 m -137.67 152.43 49.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.484 ' HB2' ' CE2' ' B' ' 5' ' ' TYR . 54.1 p -85.54 163.44 18.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.516 ' HB2' ' OG1' ' B' ' 21' ' ' THR . 0.0 OUTLIER -66.53 -22.92 66.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.263 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 m -65.85 -41.81 91.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.985 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.72 ' HB3' HD11 ' A' ' 6' ' ' LEU . 2.1 m-20 -61.84 -44.72 96.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.612 0.72 . . . . 0.0 109.948 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG22 ' B' ' 18' ' ' VAL . 11.3 mp -67.05 -23.09 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.434 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -56.07 -39.21 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.713 0.292 . . . . 0.0 111.602 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -28.21 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 6' ' ' LEU . 98.9 mt -69.28 -38.89 78.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB2' HG12 ' B' ' 18' ' ' VAL . 23.4 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 27.2 p90 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.22 135.61 4.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.195 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.14 147.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -79.13 116.56 19.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 57.1 mt -129.54 135.11 48.19 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 76.6 m -142.35 156.21 45.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.498 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.431 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 51.65 -139.72 26.76 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.339 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.623 ' HA ' HG12 ' B' ' 15' ' ' ILE . 0.0 OUTLIER -70.34 -18.39 63.08 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -179.695 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.71 -43.24 94.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 31.5 t80 -61.19 -47.66 85.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.39 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.623 HG12 ' HA ' ' B' ' 12' ' ' ARG . 8.6 mm -58.13 -43.32 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.562 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.8 mmp_? -66.24 -41.53 89.86 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.54 77.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.855 0.36 . . . . 0.0 111.061 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 20' ' ' LEU . 91.3 t -66.21 -44.37 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.497 0.665 . . . . 0.0 109.341 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.562 HG13 ' NH2' ' B' ' 16' ' ' ARG . 31.4 mm -70.2 -34.98 61.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.21 -41.8 89.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.433 HG21 ' O ' ' A' ' 17' ' ' MET . 90.8 m -64.31 -39.4 93.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.851 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' B' ' 25' ' ' SER . 23.3 m -77.29 -6.94 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.436 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.72 42.18 95.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.904 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 54.73 11.92 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.79 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' B' ' 22' ' ' CYS . 3.2 p -57.24 -37.43 72.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -161.28 -40.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.675 -178.112 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 2.2 t70 . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 15' ' ' CYS . 45.0 tp -58.8 -41.81 87.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.204 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.436 ' HA ' ' CZ ' ' B' ' 14' ' ' PHE . 39.5 tt0 -90.46 -62.64 1.41 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.605 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -65.41 -57.91 7.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 5' ' ' ASP . 15.2 tp -69.78 -4.37 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.7 t -63.59 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.041 -0.412 . . . . 0.0 110.541 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.69 -37.65 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.893 0.377 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.463 ' HB ' HD12 ' A' ' 9' ' ' LEU . 8.0 m -82.15 -58.75 2.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.41 -51.89 4.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.78 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.48 139.16 5.25 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.695 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HB2' HD12 ' A' ' 6' ' ' LEU . 26.9 p -115.6 140.78 48.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.509 . . . . 0.0 110.782 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.41 143.32 32.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.619 -179.192 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.433 ' O ' HG21 ' B' ' 21' ' ' THR . 4.6 mpp? -58.86 -39.91 82.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 110.43 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 m -59.25 -41.52 88.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.81 -37.13 86.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.612 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' B' ' 18' ' ' VAL . 69.2 mt -52.33 -32.21 36.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.471 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -52.68 -28.28 21.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.06 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.82 92.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' A' ' 6' ' ' LEU . 78.7 mt -74.79 -41.94 59.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 111.648 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 p90 . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.37 145.65 8.98 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.93 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.32 144.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.661 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 55.3 mtt85 -77.11 124.55 27.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.496 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.694 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 23.2 mt -131.97 128.63 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.221 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 m -140.95 148.83 41.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.196 0.522 . . . . 0.0 111.827 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.18 -133.67 52.59 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.974 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -64.73 -29.18 70.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.352 . . . . 0.0 111.783 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.07 -41.69 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.375 0.607 . . . . 0.0 109.544 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.694 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.1 t80 -61.33 -49.41 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.015 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 46.1 mm -56.92 -44.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.759 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 16' ' ' ARG . 27.8 ttm105 -63.23 -43.88 96.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.135 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.85 78.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 14' ' ' PHE . 81.6 t -65.38 -44.09 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.469 HG23 ' O ' ' B' ' 27' ' ' TRP . 5.7 mm -68.84 -39.41 79.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.053 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.78 -47.99 76.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.34 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 17' ' ' MET . 34.8 m -67.91 -36.36 80.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.057 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -26.45 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.65 25.56 75.51 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.37 35.8 86.46 Favored Glycine 0 CA--C 1.521 0.453 0 CA-C-N 115.322 -0.439 . . . . 0.0 112.406 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -66.77 -40.59 88.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.069 0.462 . . . . 0.0 111.676 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.576 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 4.4 mmp_? -115.97 -37.96 3.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.469 ' O ' HG23 ' B' ' 19' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.257 1.456 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.835 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 1.7 t70 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.711 ' HB3' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.54 -38.46 91.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.403 0.62 . . . . 0.0 110.419 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -86.46 -46.4 10.24 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.457 0.646 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -82.15 -66.7 0.86 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 3.4 mm? -51.93 -38.85 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.2 m -59.66 -34.91 73.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.0 t -85.13 -39.57 17.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.938 0.399 . . . . 0.0 110.329 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -66.71 -45.06 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.661 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 35.5 t0 -132.98 -46.8 0.85 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.879 0.371 . . . . 0.0 111.45 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.19 167.9 11.09 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.32 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -157.41 158.85 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 t -73.42 155.9 38.83 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.567 ' O ' HG21 ' B' ' 21' ' ' THR . 0.1 OUTLIER -59.88 -33.11 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -54.06 -38.66 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.788 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.06 -40.16 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.638 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.2 mp -58.71 -36.72 74.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.734 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -54.81 -33.01 61.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 6' ' ' LEU . 74.3 mt -71.18 -35.83 71.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.432 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.619 -179.87 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' SER . 49.5 p90 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.08 132.59 2.71 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.237 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.83 145.0 10.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -75.74 113.74 13.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.048 0.451 . . . . 0.0 110.477 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.852 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 51.5 mt -126.54 137.28 53.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 108.963 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -133.09 136.27 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.1 -121.6 6.32 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.088 -0.96 . . . . 0.0 114.915 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -55.24 -44.29 75.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.801 -0.7 . . . . 0.0 112.307 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.85 -38.89 92.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.897 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.852 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.7 t80 -60.27 -51.02 71.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.561 177.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.528 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.7 mt -63.26 -40.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.607 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.3 mmp_? -62.8 -38.66 91.57 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.208 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.49 -37.95 88.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.32 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.809 HG22 HD22 ' A' ' 20' ' ' LEU . 94.4 t -62.81 -40.44 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.607 HG13 ' NH2' ' B' ' 16' ' ' ARG . 15.5 mm -69.35 -35.49 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.119 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -43.22 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -72.93 -37.2 67.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.416 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.19 -37.07 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.169 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.44 -5.63 35.62 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.351 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 61.94 36.77 93.32 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.421 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.04 30.24 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 63.8 ttp180 -173.82 -35.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.156 0.503 . . . . 0.0 110.467 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.439 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 116.983 -1.484 . . . . 0.0 108.722 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.814 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 32.8 p-10 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.19 0.519 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 15' ' ' CYS . 36.2 tp -66.92 -58.41 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.701 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' HG3' ' CZ ' ' B' ' 14' ' ' PHE . 58.8 tt0 -89.58 -59.68 2.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.368 0.604 . . . . 0.0 111.801 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.7 m -57.97 -54.56 45.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.814 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 96.9 mt -93.52 22.6 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -177.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 42.2 t -69.3 -30.71 68.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.43 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -83.86 31.21 0.49 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.499 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -159.71 -57.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.323 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -88.96 -36.91 15.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.575 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.26 128.72 6.18 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.951 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.613 ' HB2' HD12 ' A' ' 6' ' ' LEU . 9.7 p -100.65 145.81 27.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.8 t -82.53 146.93 28.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.046 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.48 -40.01 93.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 p -61.25 -42.38 98.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.465 0.65 . . . . 0.0 111.018 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 16' ' ' SER . 1.0 OUTLIER -67.11 -32.59 73.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.556 -179.116 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.809 HD22 HG22 ' B' ' 18' ' ' VAL . 80.3 mt -56.81 -32.66 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.709 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.49 -40.63 62.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.442 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.43 80.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.652 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' A' ' 6' ' ' LEU . 85.6 mt -63.46 -35.88 81.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.497 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 110.429 179.626 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' TYR . . . . . 0.602 ' HE1' ' H ' ' A' ' 17' ' ' MET . 27.7 p90 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.722 0.296 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.34 139.61 6.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.693 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -117.27 136.51 54.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.912 0.387 . . . . 0.0 110.222 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.83 125.53 26.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.411 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.68 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 22.2 mt -134.39 137.7 44.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.78 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -140.77 139.08 34.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.823 0.345 . . . . 0.0 111.359 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.24 -126.71 34.51 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.478 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.883 ' H ' ' HD3' ' B' ' 12' ' ' ARG . 0.2 OUTLIER -55.88 -40.5 73.04 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.161 0.585 . . . . 0.0 111.141 -179.007 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -59.19 -42.43 90.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.595 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.68 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.2 t80 -61.1 -49.99 75.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.841 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.531 HG23 ' CE3' ' B' ' 27' ' ' TRP . 1.7 mp -59.4 -44.78 93.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.801 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -65.32 -37.96 88.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.41 -37.68 87.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 20' ' ' LEU . 87.9 t -65.82 -41.91 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.527 HG13 ' OXT' ' B' ' 27' ' ' TRP . 19.4 mm -69.47 -36.08 69.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.062 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -39.72 73.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.0 m -63.34 -38.39 90.98 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.342 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 m -83.64 -5.22 59.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.408 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.61 -42.53 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.316 -0.469 . . . . 0.0 112.102 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.18 147.62 8.09 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.518 ' HB3' HD12 ' B' ' 19' ' ' ILE . 9.1 t -157.49 -156.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.102 0.451 . . . . 0.0 110.459 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.563 ' O ' ' HD2' ' B' ' 26' ' ' ARG . 5.6 tmm_? -85.12 -37.79 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' TRP . . . . . 0.531 ' CE3' HG23 ' B' ' 15' ' ' ILE . 2.1 p-90 . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.341 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 122.769 1.271 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp -179.87 -78.34 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.971 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 60.8 tt0 -65.05 -48.87 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.298 0.57 . . . . 0.0 110.79 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 m -57.9 -43.58 86.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.003 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 13' ' ' ASP . 3.9 pp -93.35 13.89 20.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 0.5 OUTLIER -65.25 -44.69 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -88.16 38.38 0.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.948 0.404 . . . . 0.0 110.662 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -155.36 -54.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.564 ' HB3' HD13 ' A' ' 9' ' ' LEU . 57.9 t0 -104.44 -71.9 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.61 142.17 3.43 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.632 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.595 ' HB3' HD21 ' A' ' 20' ' ' LEU . 68.0 m -89.82 135.81 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.567 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.611 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.8 m -85.98 137.46 32.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.782 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.602 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 56.8 ttp -56.9 -44.4 82.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.271 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -60.39 -42.1 95.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.221 0.534 . . . . 0.0 111.188 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.06 -35.08 79.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.78 HD22 HG22 ' B' ' 18' ' ' VAL . 84.8 mt -59.49 -30.64 68.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 -36.83 67.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.12 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.338 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.6 -37.4 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.703 ' HB2' HG12 ' B' ' 18' ' ' VAL . 32.6 t . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.64 -45.38 13.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.189 0.519 . . . . 0.0 110.13 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.437 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -84.31 144.81 44.25 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.948 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.51 -43.3 59.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.171 2.581 . . . . 0.0 112.992 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -71.52 146.54 48.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.305 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.43 143.2 10.22 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.74 142.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.769 0.318 . . . . 0.0 110.73 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -72.91 113.76 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.093 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.846 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 69.2 mt -127.85 132.24 49.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 39.1 m -142.26 151.7 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.75 0.31 . . . . 0.0 111.017 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.41 -133.06 38.84 Favored Glycine 0 CA--C 1.519 0.284 0 N-CA-C 114.708 0.643 . . . . 0.0 114.708 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.503 ' HD2' ' OE1' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -67.23 -30.14 69.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.213 -179.182 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.503 ' OE1' ' HD2' ' B' ' 12' ' ' ARG . 52.5 mp0 -63.8 -40.95 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.846 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 7.0 t80 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.045 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.7 -39.89 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' B' ' 16' ' ' ARG . 14.6 mmt180 -63.89 -39.11 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.259 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.441 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -64.43 -34.9 79.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.801 0.334 . . . . 0.0 110.687 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.849 HG22 HD22 ' A' ' 20' ' ' LEU . 60.7 t -65.56 -44.93 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 121.609 0.718 . . . . 0.0 109.09 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' B' ' 27' ' ' TRP . 11.4 mm -69.88 -34.0 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.348 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 17' ' ' MET . 33.3 m -67.86 -35.66 78.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.884 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.34 -25.62 68.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.666 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.5 32.66 8.53 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.574 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.65 55.78 25.15 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.67 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -59.57 -50.43 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -173.86 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 111.595 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.777 ' HB2' HG21 ' B' ' 19' ' ' ILE . 32.2 m95 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.729 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 120.505 0.193 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 5.0 p-10 -67.3 -31.67 72.13 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.243 0.544 . . . . 0.0 110.466 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' ' 19' ' ' ASP . 24.3 tp -73.11 -52.13 15.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.735 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.475 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 60.5 tt0 -90.08 -62.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.426 0.631 . . . . 0.0 112.078 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 89.6 m -56.06 -57.26 12.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.914 -1.039 . . . . 0.0 113.421 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HG ' ' HB3' ' A' ' 13' ' ' ASP . 26.2 tp -69.34 -14.72 63.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 18.8 t -64.28 -38.5 91.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 111.45 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 t -74.84 -32.05 61.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -83.18 -57.35 3.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.537 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -103.12 -59.8 1.65 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.347 -179.097 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.91 142.19 3.82 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.192 -1.004 . . . . 0.0 112.688 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.689 ' SG ' HD21 ' A' ' 20' ' ' LEU . 28.6 p -117.61 145.12 44.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.437 ' CB ' ' HB3' ' B' ' 3' ' ' ALA . 2.0 m -78.18 142.14 38.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.507 ' O ' HG21 ' B' ' 21' ' ' THR . 66.1 mtm -59.04 -39.32 81.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.83 0.348 . . . . 0.0 110.196 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -57.77 -41.02 81.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.46 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.574 ' HB3' HD13 ' A' ' 6' ' ' LEU . 10.2 m-20 -63.33 -39.32 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.849 HD22 HG22 ' B' ' 18' ' ' VAL . 90.2 mt -54.73 -31.32 58.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.561 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -52.11 -33.21 38.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.864 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.71 85.03 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HG ' HD21 ' A' ' 6' ' ' LEU . 84.5 mt -68.99 -40.2 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.577 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.97 -14.46 56.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 4' ' ' PRO . 36.3 ttm180 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.59 -50.57 3.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.213 0.53 . . . . 0.0 109.943 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -91.71 151.92 42.77 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.413 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.476 ' O ' ' HD3' ' B' ' 1' ' ' ARG . 7.9 Cg_exo -35.67 -62.33 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.978 3.118 . . . . 0.0 115.319 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.546 ' HE1' ' HA3' ' A' ' 14' ' ' GLY . 7.5 t80 -175.45 149.95 1.06 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.704 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.93 -58.58 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.229 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -173.94 157.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 117.008 0.404 . . . . 0.0 111.483 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.683 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 54.5 mtt85 -83.54 130.57 35.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -136.74 136.87 39.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 64.5 m -139.17 168.37 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.098 0.475 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.35 -146.57 15.34 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.323 -0.853 . . . . 0.0 114.125 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.469 ' NE ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -71.07 -12.68 61.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.102 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.401 ' CD ' ' HE ' ' B' ' 12' ' ' ARG . 6.8 mp0 -68.28 -46.05 71.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 7' ' ' GLN . 34.0 t80 -61.62 -48.16 82.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.44 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.503 ' O ' HD13 ' B' ' 19' ' ' ILE . 1.8 mp -58.35 -47.21 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.452 ' NH2' HG12 ' B' ' 19' ' ' ILE . 1.6 tpm_? -63.33 -39.46 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.486 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -62.11 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.764 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.618 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 62.1 t -63.15 -42.98 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.503 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -65.13 -45.9 92.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.381 -1.282 . . . . 0.0 109.575 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 2.4 m-85 -55.94 -51.63 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.132 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 17' ' ' MET . 24.6 m -65.14 -31.76 73.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.015 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 t -69.83 -41.32 75.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.53 -37.36 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.22 56.72 6.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.815 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 23.9 m -150.31 -47.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 0.0 110.604 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.289 0.566 . . . . 0.0 109.726 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.462 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.221 0 CA-C-N 114.726 -1.125 . . . . 0.0 108.017 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.76 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.224 -0.264 0 CA-C-O 120.767 0.318 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 1.4 t70 -52.86 -27.35 18.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.197 0.522 . . . . 0.0 111.284 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.2 mm? -91.27 -92.09 0.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 65.2 tp60 -42.97 -51.12 5.75 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.76 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 53.8 m -69.8 -60.43 2.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 27.4 tp -61.31 -41.99 97.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.589 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 79.7 m -60.14 -25.92 65.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.4 t -86.88 -44.96 11.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 m -68.12 -55.27 13.05 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.683 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 37.5 t70 -114.22 -35.36 5.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.293 0.568 . . . . 0.0 110.945 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.589 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.39 -166.64 12.37 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.037 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' HB2' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p -173.67 174.97 3.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.584 ' CB ' ' HB3' ' B' ' 3' ' ' ALA . 30.6 t -80.41 149.16 30.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.551 ' O ' HG21 ' B' ' 21' ' ' THR . 3.6 mpp? -58.11 -35.8 71.98 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 m -61.44 -31.18 71.12 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' B' ' 1' ' ' ARG . 63.3 m-20 -59.85 -35.27 74.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.618 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.4 mp -61.66 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.433 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m -52.81 -31.94 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.07 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 6' ' ' LEU . 54.5 mt -68.31 -30.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 37.2 t -64.71 -27.95 69.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.939 0.399 . . . . 0.0 111.002 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.505 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 14' ' ' GLY . 20.5 mmm180 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 119.924 -0.084 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.34 50.55 1.1 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.997 0.427 . . . . 0.0 111.532 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.94 145.13 1.9 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.85 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.41 -43.24 60.21 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.823 2.348 . . . . 0.0 111.659 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.631 ' HE1' ' H ' ' A' ' 17' ' ' MET . 53.9 p90 -79.02 139.23 38.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.632 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.76 141.33 7.3 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.898 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.6 138.35 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.231 0.539 . . . . 0.0 110.58 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 mmt85 -73.53 120.16 18.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.943 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 35.0 mt -123.94 136.28 54.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.999 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 77.4 m -138.67 136.79 36.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.025 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.05 -120.19 10.43 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 114.92 0.728 . . . . 0.0 114.92 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.56 ' HA ' ' HE ' ' B' ' 12' ' ' ARG . 4.2 tpm_? -57.48 -41.26 80.31 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.121 0.568 . . . . 0.0 112.278 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.83 -42.64 98.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.637 ' CE2' ' HG3' ' A' ' 7' ' ' GLN . 42.4 t80 -58.44 -47.87 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.687 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.613 ' O ' HD13 ' B' ' 19' ' ' ILE . 50.5 mm -60.26 -45.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.988 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -63.16 -38.49 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.352 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.479 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.36 -34.38 78.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.015 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.61 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.8 t -65.14 -42.9 95.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.613 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.2 mp -64.2 -43.0 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.047 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.93 -36.21 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -61.11 -35.74 77.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 m -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.53 30.72 78.65 Favored Glycine 0 C--N 1.33 0.227 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.0 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.679 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.83 28.19 52.04 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.446 -0.407 . . . . 0.0 112.892 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 42.1 m -92.11 28.32 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 111.267 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -177.08 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.42 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.679 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.071 -1.443 . . . . 0.0 108.426 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.729 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 120.695 0.283 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' A' ' 9' ' ' LEU . 13.9 p-10 -59.62 -27.25 66.16 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.991 0.425 . . . . 0.0 110.845 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.7 tp -81.69 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.707 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.637 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 15.7 tt0 -76.55 -57.24 3.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.268 0.556 . . . . 0.0 112.089 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 88.8 m -56.9 -47.28 80.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.234 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.642 HD13 ' HA ' ' A' ' 5' ' ' ASP . 9.2 mp -93.22 26.74 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 13.6 t -68.86 -38.58 79.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.27 0.557 . . . . 0.0 109.812 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.54 ' O ' ' HD2' ' B' ' 8' ' ' ARG . 66.7 m -73.47 -22.18 60.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.444 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -87.23 -52.39 5.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.77 -64.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.491 . . . . 0.0 111.182 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.602 ' O ' ' HG2' ' B' ' 1' ' ' ARG . . . 129.74 113.92 1.67 Allowed Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' B' ' 9' ' ' LEU . 87.7 m -67.71 147.41 52.69 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.511 ' OG ' ' HB2' ' B' ' 1' ' ' ARG . 16.8 m -120.3 147.19 45.32 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.953 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.631 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 59.5 ttp -53.46 -38.49 63.63 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.273 0.358 . . . . 0.0 111.514 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -48.59 80.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.876 0.37 . . . . 0.0 111.596 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' B' ' 1' ' ' ARG . 1.3 m-20 -64.99 -42.38 94.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.458 0.647 . . . . 0.0 110.28 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.61 ' HG ' HG22 ' B' ' 18' ' ' VAL . 7.2 mp -64.68 -24.85 67.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.053 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -56.22 -38.44 71.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.411 . . . . 0.0 110.455 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.14 71.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.993 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.81 -42.64 70.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.6 -26.25 61.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.431 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.49 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . 2.0 ptp85 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.67 130.9 48.5 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.346 0.404 . . . . 0.0 110.37 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' B' ' 4' ' ' PRO . . . -160.33 164.34 19.87 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.659 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' B' ' 3' ' ' ALA . 93.6 Cg_exo -46.99 -38.71 24.3 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 123.116 2.544 . . . . 0.0 112.747 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 9.1 p90 -139.48 139.54 37.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.312 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.33 150.39 19.54 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.639 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.12 144.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.756 0.312 . . . . 0.0 110.29 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 68.0 mtt85 -80.9 120.33 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.825 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 49.2 mt -125.79 131.77 52.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.522 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' B' ' 13' ' ' GLU . 1.5 m -152.13 163.94 38.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.755 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.18 -137.7 49.65 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.159 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.834 ' H ' ' HD3' ' B' ' 12' ' ' ARG . 0.1 OUTLIER -64.82 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.758 0.313 . . . . 0.0 110.286 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 10' ' ' CYS . 9.3 mp0 -62.04 -45.16 94.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.244 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.542 ' O ' HG23 ' B' ' 18' ' ' VAL . 43.2 t80 -60.54 -53.79 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.144 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.535 ' O ' HG12 ' B' ' 19' ' ' ILE . 1.9 mp -59.11 -43.08 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.763 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.821 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 2.0 tpm_? -62.13 -46.61 88.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.028 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.33 88.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.317 0.386 . . . . 0.0 111.676 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.546 HG22 HD22 ' A' ' 20' ' ' LEU . 96.1 t -65.34 -42.88 94.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.752 HG21 ' HB2' ' B' ' 27' ' ' TRP . 6.6 mm -70.61 -34.96 59.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.394 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.502 HG21 ' O ' ' A' ' 17' ' ' MET . 38.9 m -68.71 -35.63 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.009 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.53 -20.23 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.46 29.58 26.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.233 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.04 53.92 38.95 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.78 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -53.67 -54.37 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -171.35 53.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.314 0.578 . . . . 0.0 111.015 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.752 ' HB2' HG21 ' B' ' 19' ' ' ILE . 37.4 m95 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.105 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.676 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 120.452 0.167 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -62.89 -34.04 76.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.978 0.418 . . . . 0.0 110.991 179.405 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 26.5 tp -66.42 -58.39 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -90.43 -61.85 1.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.676 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 92.7 m -54.81 -52.84 61.44 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CB ' ' HA ' ' A' ' 5' ' ' ASP . 22.2 tp -79.02 -6.95 57.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 13.2 t -63.83 -36.68 84.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -43.25 66.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.133 0.492 . . . . 0.0 110.96 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.504 ' HB ' HD12 ' A' ' 9' ' ' LEU . 5.9 m -73.96 -47.51 36.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.397 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.542 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 16.9 t70 -114.1 -65.93 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.638 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.84 153.28 6.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.918 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.5 p -133.7 143.46 48.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.091 0.472 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' B' ' 5' ' ' TYR . 17.8 m -80.94 148.07 29.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.511 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.502 ' O ' HG21 ' B' ' 21' ' ' THR . 4.7 ppp? -61.94 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.206 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -59.22 -36.86 76.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.039 0.447 . . . . 0.0 110.513 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' HB3' HD13 ' A' ' 6' ' ' LEU . 7.0 m-20 -63.63 -38.94 93.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.502 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.546 HD22 HG22 ' B' ' 18' ' ' VAL . 73.4 mt -55.65 -31.58 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.739 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -50.88 -35.85 34.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.024 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.09 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.6 -39.02 74.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HB2' HG12 ' B' ' 18' ' ' VAL . 37.7 t -80.22 -17.19 52.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.94 0.4 . . . . 0.0 110.396 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.436 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.589 0.233 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.82 140.76 58.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.033 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.14 158.14 31.97 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.784 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -49.7 -39.92 47.13 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.054 2.502 . . . . 0.0 112.276 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -146.1 141.44 27.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.26 159.25 31.0 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.094 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.13 149.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 10' ' ' CYS . 22.7 mmt85 -70.69 116.85 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.765 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 45.7 mt -132.7 131.67 41.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -141.05 144.01 34.71 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.911 0.386 . . . . 0.0 111.682 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.542 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 57.23 -138.12 48.33 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.723 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.576 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 25.9 tpt180 -61.3 -26.74 67.99 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 122.137 0.175 . . . . 0.0 111.194 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -64.55 -42.61 95.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.765 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 43.6 t80 -63.86 -43.02 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.633 HG23 ' CZ3' ' B' ' 27' ' ' TRP . 46.5 mm -56.85 -48.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.409 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 39.0 mtm105 -61.36 -35.4 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.074 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.75 83.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.826 0.346 . . . . 0.0 110.283 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.683 HG22 ' HG ' ' A' ' 20' ' ' LEU . 65.0 t -65.48 -43.98 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.519 HD11 ' CE2' ' B' ' 27' ' ' TRP . 8.8 mm -68.4 -34.86 68.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.952 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -39.9 83.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -62.85 -41.68 99.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.735 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 10.7 m -81.99 -23.15 36.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.201 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.56 37.32 40.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.76 139.9 8.35 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -152.92 -87.0 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.637 0.719 . . . . 0.0 112.403 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -142.4 18.93 2.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.394 0.14 . . . . 0.0 110.706 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.731 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 2.3 p-90 . . . . . 0 C--O 1.254 1.338 0 CA-C-O 118.841 -0.6 . . . . 0.0 109.576 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.728 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.222 -0.347 0 CA-C-O 120.777 0.322 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.887 ' HA ' HD13 ' A' ' 9' ' ' LEU . 6.8 t70 -58.52 -36.11 73.32 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.484 0.659 . . . . 0.0 109.956 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 1.6 mm? -68.09 -58.07 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -90.9 -59.41 2.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 53.5 m -48.5 -53.1 19.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.565 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.887 HD13 ' HA ' ' A' ' 5' ' ' ASP . 11.0 mp -71.82 -29.23 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 28.4 t -59.14 -40.32 85.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.0 0.429 . . . . 0.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m -68.02 -25.65 65.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.165 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -82.42 -49.03 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.374 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.29 -70.34 0.79 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.94 138.08 2.33 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' B' ' 9' ' ' LEU . 7.9 p -107.94 144.1 35.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.43 . . . . 0.0 111.841 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.568 ' O ' HD13 ' A' ' 20' ' ' LEU . 30.8 t -83.64 145.41 28.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttp -56.24 -36.35 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.282 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -61.7 -40.02 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.309 0.576 . . . . 0.0 111.276 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.69 -40.21 94.99 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.243 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.683 ' HG ' HG22 ' B' ' 18' ' ' VAL . 8.3 mp -58.06 -33.78 69.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.926 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -53.12 -33.62 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.96 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -36.28 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.731 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 48.7 t -66.27 -34.33 77.76 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.458 -0.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.435 ' HB2' ' CG ' ' A' ' 13' ' ' ASP . 9.3 mtp85 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.69 45.44 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . . . -86.8 135.7 35.31 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.567 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 32.4 Cg_exo -59.77 -38.24 81.73 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.968 2.445 . . . . 0.0 111.303 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -148.94 144.52 26.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.034 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.57 134.6 2.94 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.112 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -80.29 137.3 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 110.238 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -82.5 117.62 22.64 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.155 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 12.5 mt -116.74 136.12 53.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.2 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.46 144.19 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.165 0.507 . . . . 0.0 112.042 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.72 -122.3 8.9 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.435 -0.802 . . . . 0.0 114.609 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.533 ' CD ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -55.98 -44.56 78.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.093 -0.553 . . . . 0.0 111.273 -179.196 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.43 ' OE2' ' HB2' ' B' ' 12' ' ' ARG . 2.7 mp0 -60.56 -40.83 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.554 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.647 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 15.3 t80 -61.55 -53.48 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.946 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.464 HG23 ' CZ3' ' B' ' 27' ' ' TRP . 1.7 mp -59.56 -42.41 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.079 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.875 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 0.9 OUTLIER -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 -178.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.52 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -62.87 -35.58 80.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.785 0.326 . . . . 0.0 111.41 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.786 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 99.2 t -63.56 -42.01 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.484 HG13 HH21 ' B' ' 16' ' ' ARG . 16.1 mm -74.27 -36.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.387 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 0.9 OUTLIER -55.62 -38.86 70.03 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 109.186 178.167 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -62.64 -37.29 85.77 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.285 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 18.1 m -85.95 -9.45 56.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.381 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.67 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.129 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.2 63.52 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -60.62 -46.78 88.99 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -170.8 -45.75 0.02 OUTLIER 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.299 -0.56 . . . . 0.0 112.421 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.464 ' CZ3' HG23 ' B' ' 15' ' ' ILE . 3.6 p-90 . . . . . 0 C--O 1.251 1.179 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.722 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 121.415 0.626 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -125.5 -50.76 1.63 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.478 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 19' ' ' ASP . 13.9 tp -66.98 -58.51 4.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.084 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' HG2' ' CE2' ' B' ' 14' ' ' PHE . 8.4 tm0? -68.43 -54.84 14.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.327 0.584 . . . . 0.0 111.854 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.722 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 68.7 m -66.29 -47.19 74.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.594 ' HG ' ' HB ' ' A' ' 12' ' ' THR . 1.4 tp -84.46 23.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.92 -29.51 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.752 -0.593 . . . . 0.0 109.945 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.0 m -81.17 -40.51 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.736 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.594 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 3.0 m -84.05 -45.49 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.435 ' CG ' ' HB2' ' B' ' 1' ' ' ARG . 10.6 t70 -89.26 -50.23 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.724 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.88 131.16 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' HA ' ' NH2' ' B' ' 1' ' ' ARG . 56.5 m -120.75 137.12 54.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.199 0.523 . . . . 0.0 112.202 -178.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.574 ' O ' HD22 ' A' ' 20' ' ' LEU . 37.7 t -86.85 163.56 17.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.57 -34.82 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 109.98 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.648 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 6' ' ' LEU . 25.2 m-20 -64.15 -44.98 90.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.262 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.786 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 0.5 OUTLIER -64.82 -29.55 70.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.197 -179.78 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.3 m -53.97 -40.33 66.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.59 73.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.915 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.97 -42.4 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.74 ' HB2' HG12 ' B' ' 18' ' ' VAL . 9.3 t -79.84 -23.65 41.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.957 0.408 . . . . 0.0 110.619 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.529 -0.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.887 0.375 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.0 -38.55 8.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . . . -75.04 139.77 73.15 Favored Pre-proline 0 N--CA 1.451 -0.423 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.736 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 35.5 Cg_exo -60.53 -49.12 9.55 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.643 2.229 . . . . 0.0 111.902 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -79.84 142.17 35.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.877 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.16 140.2 6.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.342 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.83 143.43 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.715 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 59.8 mtt85 -73.56 121.81 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.811 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.4 mt -125.67 134.46 51.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.823 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 73.0 m -140.1 146.85 39.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.795 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.15 -128.97 45.15 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.977 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.437 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 2.4 mtm180 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.467 -0.366 . . . . 0.0 111.204 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 10' ' ' CYS . 1.1 mm-40 -61.67 -41.29 97.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.811 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.5 t80 -59.81 -53.58 56.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.201 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -62.68 -41.3 91.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -60.67 -44.65 96.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.54 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.41 80.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.825 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.94 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.9 t -66.51 -45.12 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.483 HG21 ' OXT' ' B' ' 27' ' ' TRP . 8.1 mm -67.5 -34.51 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.071 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -45.19 86.78 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.425 HG21 ' O ' ' A' ' 17' ' ' MET . 35.6 m -67.2 -35.63 80.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.376 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.1 t -64.99 -30.13 71.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.05 -33.17 0.87 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.283 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.59 53.01 37.88 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.641 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -153.89 -47.05 0.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtt85 -64.78 -29.84 70.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.03 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.483 ' OXT' HG21 ' B' ' 19' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.874 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.764 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 121.463 0.649 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -79.86 -37.3 35.24 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.947 179.564 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 tp -97.54 -24.23 15.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.968 0.413 . . . . 0.0 110.314 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -92.8 -60.56 1.78 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.473 0.654 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.764 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 17.9 m -72.04 -50.72 26.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -177.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 28.3 mt -56.97 -15.94 5.95 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 87.0 m -62.92 -38.89 92.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.65 -38.6 28.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.157 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -62.34 -47.71 83.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.929 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.715 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 42.9 t0 -135.71 -54.2 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.787 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.37 161.3 10.12 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.004 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.6 m -136.97 139.99 41.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' HD13 ' A' ' 20' ' ' LEU . 42.8 t -89.89 156.78 18.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.265 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.425 ' O ' HG21 ' B' ' 21' ' ' THR . 3.2 mpp? -57.6 -31.36 66.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -59.94 -42.21 93.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.379 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -67.95 -42.41 80.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.674 0.75 . . . . 0.0 109.283 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.94 ' HG ' HG22 ' B' ' 18' ' ' VAL . 6.2 mp -60.46 -29.23 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.598 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 m -56.97 -30.96 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.459 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.79 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.49 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -74.64 -36.64 62.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' B' ' 22' ' ' CYS . 5.3 t -159.45 105.11 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.584 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.663 ' HD2' ' HA ' ' A' ' 15' ' ' CYS . 2.8 tpm_? . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.632 0.253 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.77 -48.99 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.352 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.05 147.46 83.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.57 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -53.34 -44.32 49.92 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.905 2.403 . . . . 0.0 113.651 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 20.4 p90 -95.51 145.43 25.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.99 134.3 2.99 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.183 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -93.18 145.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -72.26 116.74 13.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.96 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 72.9 mt -132.6 137.23 46.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -142.24 146.02 34.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.001 0.429 . . . . 0.0 111.447 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.95 -136.3 45.72 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.561 -0.745 . . . . 0.0 114.405 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 0.0 OUTLIER -68.99 -25.66 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.153 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -64.64 -38.62 91.61 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.96 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 1.6 t80 -61.71 -47.9 83.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.82 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.535 ' O ' HD13 ' B' ' 19' ' ' ILE . 60.8 mt -58.77 -37.72 67.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.391 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 57.3 mtt180 -55.33 -46.97 76.32 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 121.276 -0.17 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.418 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -64.64 -38.68 91.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.249 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.703 HG22 ' HB3' ' A' ' 20' ' ' LEU . 66.7 t -62.55 -43.57 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.923 0.868 . . . . 0.0 108.993 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.535 HD13 ' O ' ' B' ' 15' ' ' ILE . 0.5 OUTLIER -65.98 -46.58 87.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.2 -47.49 75.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.788 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.418 ' OG1' ' HB3' ' A' ' 17' ' ' MET . 24.0 m -66.87 -33.79 76.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 t -73.06 -42.06 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.235 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.58 -47.42 1.04 Allowed Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.609 ' HA2' ' HZ2' ' B' ' 27' ' ' TRP . . . 158.05 146.35 4.49 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.105 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.9 p -168.54 -99.95 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.712 0.256 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' B' ' 27' ' ' TRP . 6.9 tpp180 -150.36 115.28 5.31 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.347 0.594 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.609 ' HZ2' ' HA2' ' B' ' 24' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.355 0 CA-C-N 114.44 -1.255 . . . . 0.0 108.989 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.764 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.344 0.592 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.553 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 24.5 t70 -130.13 -56.82 1.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.134 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 15' ' ' CYS . 2.6 mm? -61.77 -42.17 98.64 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.283 0.563 . . . . 0.0 110.292 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -84.71 -50.88 7.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.445 0.641 . . . . 0.0 110.694 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.764 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 26.9 m -77.23 -70.35 0.47 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -176.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 9.0 mp -63.29 -26.29 68.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.2 t -54.91 -36.45 65.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 118.181 0.446 . . . . 0.0 112.165 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -74.15 -24.67 59.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.148 0.499 . . . . 0.0 109.716 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 m -83.47 -50.89 7.84 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.845 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.89 -65.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.692 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.536 ' O ' ' HD2' ' B' ' 1' ' ' ARG . . . 165.1 -179.36 39.71 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.663 ' HA ' ' HD2' ' B' ' 1' ' ' ARG . 21.9 p -157.03 134.29 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 110.098 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.634 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -82.15 144.16 30.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.305 -178.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.537 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.1 mpp? -57.31 -32.96 67.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.626 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 p -60.06 -44.45 94.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.417 0.627 . . . . 0.0 111.16 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' HB3' HD11 ' A' ' 6' ' ' LEU . 1.4 m-20 -68.8 -34.87 76.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.703 ' HB3' HG22 ' B' ' 18' ' ' VAL . 64.6 mt -62.89 -35.56 80.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.084 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.8 m -49.19 -37.74 23.67 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 6' ' ' LEU . 93.0 mt -66.16 -36.35 82.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -64.21 -30.22 71.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.569 -0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.26 -46.15 0.42 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.351 0.407 . . . . 0.0 110.4 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.524 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -84.58 135.47 40.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.068 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.49 -49.15 2.63 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.867 2.378 . . . . 0.0 112.551 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -63.68 147.89 50.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.768 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.65 145.24 9.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.927 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -94.16 148.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -70.49 113.92 8.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 48.2 mt -134.46 140.1 45.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 95.6 m -144.59 160.57 40.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 111.881 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.57 -125.46 3.45 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 114.933 -1.031 . . . . 0.0 115.614 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -69.5 -33.2 72.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.793 -0.703 . . . . 0.0 111.647 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.3 mp0 -62.82 -43.07 99.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.42 0.628 . . . . 0.0 109.306 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 20.4 t80 -61.12 -52.87 63.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.511 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 31.3 mt -61.63 -36.32 72.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -37.14 86.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.005 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -66.89 -33.55 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.753 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.823 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.6 t -63.58 -42.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.887 HG21 ' HB2' ' B' ' 27' ' ' TRP . 11.3 mm -70.26 -33.82 56.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.178 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.0 OUTLIER -58.3 -44.66 88.66 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -67.9 -35.87 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.754 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -5.27 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.031 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.37 68.3 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 113.143 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.86 49.2 72.67 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.439 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 20.1 p -64.46 -35.44 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 24.9 ptt-85 -167.2 44.65 0.05 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.887 ' HB2' HG21 ' B' ' 19' ' ' ILE . 36.5 m95 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.488 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.729 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.224 -0.247 0 CA-C-O 120.881 0.372 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.822 ' HA ' HD13 ' A' ' 9' ' ' LEU . 11.3 p-10 -63.19 -23.37 67.4 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.996 0.427 . . . . 0.0 110.726 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 20.4 tp -86.82 -50.48 6.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.703 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -90.11 -57.17 2.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 112.069 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 98.6 m -52.96 -51.25 62.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.008 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' HA ' ' A' ' 5' ' ' ASP . 10.6 mp -70.52 -22.17 62.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 111.399 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 10.9 t -68.61 -36.46 78.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.166 0.508 . . . . 0.0 110.037 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.2 m -68.09 -35.36 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.883 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -80.78 -59.09 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -55.13 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.47 159.22 8.63 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.644 -1.265 . . . . 0.0 113.276 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' A' ' 20' ' ' LEU . 19.9 p -129.8 139.54 51.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.815 0.34 . . . . 0.0 110.126 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.558 ' O ' HD13 ' A' ' 20' ' ' LEU . 37.6 t -76.5 144.28 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.147 0.498 . . . . 0.0 111.267 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttm -55.72 -42.98 76.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.404 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.2 p -58.11 -42.58 86.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.743 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.93 -35.11 80.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.715 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HG ' HG22 ' B' ' 18' ' ' VAL . 6.1 mp -55.96 -34.42 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.326 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -50.19 -31.1 12.87 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.76 84.45 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HG ' HD23 ' A' ' 6' ' ' LEU . 61.5 mt -68.17 -40.58 82.25 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.8 t -76.41 -20.56 56.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.871 0.367 . . . . 0.0 110.937 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.497 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.533 ' HD3' ' O ' ' A' ' 14' ' ' GLY . 28.8 tpt180 . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.07 60.09 2.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.178 0.513 . . . . 0.0 110.197 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.54 160.28 30.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.33 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.28 -39.8 16.26 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.39 2.727 . . . . 0.0 113.344 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -142.46 151.65 41.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.802 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.02 137.14 4.54 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.476 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.32 141.93 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 10' ' ' CYS . 34.3 ttm180 -75.54 125.61 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -135.13 140.54 45.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.65 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -144.63 173.19 12.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.085 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.435 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 47.98 -134.32 17.18 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.829 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.067 -0.567 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.16 -45.91 91.33 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.508 ' O ' HG23 ' B' ' 18' ' ' VAL . 28.8 t80 -62.24 -48.97 77.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.778 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.435 HG12 ' O ' ' B' ' 11' ' ' GLY . 50.8 mm -57.62 -43.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.079 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' B' ' 16' ' ' ARG . 4.7 mmp_? -66.46 -40.92 89.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.247 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.19 86.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.726 0.298 . . . . 0.0 111.314 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 14' ' ' PHE . 83.2 t -64.73 -43.43 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.509 0.671 . . . . 0.0 109.32 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.42 HG12 ' O ' ' B' ' 15' ' ' ILE . 6.0 mm -72.11 -35.51 53.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.639 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -47.59 82.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.469 HG21 ' O ' ' A' ' 17' ' ' MET . 30.4 m -67.54 -33.78 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.149 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.65 -28.17 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.865 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.39 16.89 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.059 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.9 53.16 44.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.215 -0.517 . . . . 0.0 113.159 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -65.53 -35.4 80.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 24.97 0.11 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.263 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.454 ' N ' ' CD1' ' B' ' 27' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.493 -1.242 . . . . 0.0 109.187 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.646 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.52 -0.207 0 CA-C-O 121.394 0.616 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -119.49 -63.43 1.38 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.444 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.7 mm? -64.93 -41.52 95.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.15 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -80.84 -39.72 26.1 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.632 0.73 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.646 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 58.2 m -89.08 -68.13 0.79 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.96 -36.21 67.57 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 81.0 m -59.32 -35.0 73.01 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.18 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 17.1 m -81.26 -27.77 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.958 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -78.37 -48.73 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.068 0.461 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.41 -71.32 0.74 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.249 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' ' HD3' ' B' ' 1' ' ' ARG . . . 154.82 164.86 13.36 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -141.72 158.88 43.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.814 0.807 . . . . 0.0 111.746 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.2 t -84.41 158.92 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.986 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.514 ' HE2' HD22 ' A' ' 20' ' ' LEU . 20.3 mmt -60.51 -33.28 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 p -61.81 -37.35 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.07 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 6' ' ' LEU . 53.4 m-20 -63.43 -47.29 82.54 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.577 0.703 . . . . 0.0 109.627 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.514 HD22 ' HE2' ' A' ' 17' ' ' MET . 11.0 mp -60.3 -31.19 70.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.033 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -54.13 -33.12 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.95 90.23 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 6' ' ' LEU . 35.5 mt -65.96 -40.38 91.25 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.53 -20.46 56.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.447 -0.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.515 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 48.1 ttp180 . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.79 133.63 48.6 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.95 150.92 14.43 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.575 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -53.6 -40.62 78.58 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.966 2.444 . . . . 0.0 112.233 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -134.23 140.48 46.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.064 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLY . . . . . 0.522 ' HA2' ' OG ' ' A' ' 16' ' ' SER . . . -175.16 125.55 1.09 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.451 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' SER . 7.2 p -87.74 138.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -89.21 121.17 31.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.0 mt -131.92 141.76 49.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.618 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.19 163.7 29.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.901 0.382 . . . . 0.0 111.659 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.29 -121.41 0.83 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' B' ' 15' ' ' ILE . 16.7 mmp_? -71.42 -32.95 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.869 -0.666 . . . . 0.0 111.569 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.502 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.1 mp0 -62.47 -43.28 99.2 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 37.5 t80 -59.17 -55.83 29.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.551 ' O ' HD13 ' B' ' 19' ' ' ILE . 10.3 tp -61.99 -39.47 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.494 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.642 ' NH2' HG12 ' B' ' 19' ' ' ILE . 5.2 mmp_? -65.6 -37.75 87.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.966 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.499 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -62.87 -34.35 77.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.738 0.304 . . . . 0.0 110.468 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.807 HG22 HD22 ' A' ' 20' ' ' LEU . 88.2 t -63.89 -43.22 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.642 HG12 ' NH2' ' B' ' 16' ' ' ARG . 1.7 mp -66.99 -43.4 89.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.727 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.62 -48.5 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.542 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 17' ' ' MET . 28.7 m -66.2 -36.91 84.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.518 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.93 -39.58 87.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.76 -22.98 4.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.582 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' OXT' ' B' ' 27' ' ' TRP . . . 68.73 32.89 74.74 Favored Glycine 0 C--O 1.229 -0.206 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.785 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -98.44 32.91 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.897 0.38 . . . . 0.0 111.252 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -172.29 -33.88 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.41 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.502 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.429 -0.805 . . . . 0.0 108.982 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.717 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 121.41 0.624 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.515 ' OD2' ' HB2' ' B' ' 1' ' ' ARG . 7.6 t70 -131.45 -53.0 1.02 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.755 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 38.3 tp -64.06 -47.61 79.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.302 0.572 . . . . 0.0 109.811 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 7.7 tt0 -80.02 -55.72 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.717 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 37.6 m -67.59 -52.31 40.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -177.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.0 mp -81.69 35.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 51.1 t -81.83 -35.57 29.27 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -68.68 -35.73 77.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.18 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -73.9 -55.78 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -67.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.798 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.08 134.22 1.73 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.798 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' B' ' 9' ' ' LEU . 6.0 p -93.52 -24.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.843 -0.21 . . . . 0.0 111.485 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.71 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.8 m 68.94 142.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.556 0.693 . . . . 0.0 112.239 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.573 ' O ' HG21 ' B' ' 21' ' ' THR . 2.3 mpp? -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.789 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -51.34 -47.84 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.702 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.85 -35.57 77.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.437 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.807 HD22 HG22 ' B' ' 18' ' ' VAL . 71.1 mt -55.13 -32.11 61.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.751 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -52.32 -40.75 62.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.1 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.41 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.453 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 42.7 t -63.17 -32.6 74.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.461 . . . . 0.0 110.638 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.412 -0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.641 ' HD3' ' O ' ' A' ' 14' ' ' GLY . 5.6 ptm180 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.31 -50.79 66.54 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.809 0.338 . . . . 0.0 111.241 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.73 135.65 45.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.539 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.44 -44.84 16.6 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.847 2.365 . . . . 0.0 111.997 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.486 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 54.4 p90 -111.3 139.33 46.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.375 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.8 144.62 8.88 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.908 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.4 148.23 8.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.7 0.286 . . . . 0.0 110.236 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.83 121.62 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.994 0.426 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.545 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 56.0 mt -125.88 127.99 46.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 83.5 m -138.32 143.74 40.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 -130.19 20.0 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.274 -0.875 . . . . 0.0 114.807 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.494 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 24.6 mtm180 -52.28 -40.8 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.421 0.688 . . . . 0.0 111.606 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -60.65 -44.75 96.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.5 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.545 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 14.2 t80 -62.83 -48.72 77.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.611 ' O ' HD13 ' B' ' 19' ' ' ILE . 1.8 mp -60.11 -46.21 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.487 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.445 ' NH2' HG21 ' B' ' 19' ' ' ILE . 1.0 OUTLIER -63.8 -36.58 84.38 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.326 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.34 90.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.771 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.669 HG22 ' HG ' ' A' ' 20' ' ' LEU . 81.4 t -63.84 -42.08 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.611 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -64.95 -40.94 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.429 -1.26 . . . . 0.0 109.696 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.98 -36.28 74.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.838 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -64.43 -32.59 74.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.738 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 60.1 m -74.21 -11.07 60.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.546 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.29 27.18 73.15 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.557 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 54.8 30.33 52.28 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.9 m -95.18 27.95 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.626 0.251 . . . . 0.0 111.649 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 53.0 ttp85 -176.21 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.549 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.176 -1.392 . . . . 0.0 109.56 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.787 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.226 -0.139 0 CA-C-O 120.476 0.179 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.63 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -56.23 -28.02 56.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.969 0.414 . . . . 0.0 109.919 178.295 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -78.04 -91.38 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 178.557 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 38.9 tt0 -52.26 -55.67 19.77 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.787 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 90.1 m -57.74 -39.53 77.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.7 mp -95.56 17.58 14.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.7 m -72.31 -44.88 62.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.6 m -81.94 -38.23 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -48.89 54.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.854 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' OD1' ' HG2' ' B' ' 1' ' ' ARG . 10.3 t70 -109.19 -68.65 0.9 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.196 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.641 ' O ' ' HD3' ' B' ' 1' ' ' ARG . . . 151.86 137.86 2.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.183 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 89.7 m -120.03 140.5 50.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.171 0.51 . . . . 0.0 111.386 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.486 ' HG ' ' HE2' ' B' ' 5' ' ' TYR . 46.7 t -110.37 161.33 15.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.025 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.414 ' H ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -60.72 -24.33 65.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.255 0.55 . . . . 0.0 110.108 178.767 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -62.33 -43.65 98.33 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.783 ' HB3' HD21 ' A' ' 6' ' ' LEU . 1.3 m-20 -75.38 -40.75 57.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 110.519 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.669 ' HG ' HG22 ' B' ' 18' ' ' VAL . 7.3 mp -57.86 -23.34 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -53.65 -40.04 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.54 88.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 -32.2 67.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.359 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.5 t -60.69 -35.32 76.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.819 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.475 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.14 -41.31 20.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . . . -92.62 118.07 67.84 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.972 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 12.1 Cg_exo -71.6 93.28 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 123.096 2.531 . . . . 0.0 114.691 -178.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 32.2 p90 177.63 -177.37 0.19 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.121 -1.399 . . . . 0.0 107.934 177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.51 150.36 9.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.64 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -134.82 142.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -71.11 108.55 4.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.717 0.294 . . . . 0.0 111.214 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 40.6 mt -133.73 131.12 39.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.67 164.32 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.999 0.428 . . . . 0.0 111.674 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.535 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 55.22 -137.98 43.84 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.444 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.97 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 3.1 mp0 -65.31 -42.04 93.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.349 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.528 ' O ' HG23 ' B' ' 18' ' ' VAL . 32.9 t80 -62.82 -46.15 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.489 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.535 HG12 ' O ' ' B' ' 11' ' ' GLY . 10.9 mm -59.17 -45.54 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.299 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' B' ' 16' ' ' ARG . 14.0 mmt180 -64.23 -38.57 91.51 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' B' ' 9' ' ' LEU . . . -64.47 -38.25 90.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.728 0.299 . . . . 0.0 110.947 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.89 HG22 ' HG ' ' A' ' 20' ' ' LEU . 86.8 t -66.54 -43.88 90.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.532 0.682 . . . . 0.0 109.38 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.802 HG21 ' HB2' ' B' ' 27' ' ' TRP . 10.6 mm -70.51 -34.48 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.715 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -46.43 87.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.545 HG21 ' O ' ' A' ' 17' ' ' MET . 34.8 m -68.92 -35.84 77.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.149 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.12 -26.48 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.604 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.11 37.61 6.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.776 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.71 53.65 36.71 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 3.7 p -58.24 -47.77 82.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -173.34 37.84 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.201 0.524 . . . . 0.0 111.248 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.802 ' HB2' HG21 ' B' ' 19' ' ' ILE . 7.0 m95 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.774 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.223 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.7 p-10 -64.0 -23.83 67.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.294 0.569 . . . . 0.0 109.884 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 56.2 tp -77.46 -76.33 0.18 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.308 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 17.6 tt0 -69.96 -58.27 4.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.774 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 91.6 m -54.36 -48.86 70.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.908 -178.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 5' ' ' ASP . 92.5 mt -94.2 25.32 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 29.7 t -73.94 -37.6 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.797 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.78 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.429 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -75.45 -58.98 2.95 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -106.03 -61.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.214 0.53 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.65 134.91 2.83 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.095 -1.05 . . . . 0.0 112.614 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.662 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 9.5 p -96.5 129.7 43.81 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.266 0.555 . . . . 0.0 110.749 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.521 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.4 m -69.93 133.45 47.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.269 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.545 ' O ' HG21 ' B' ' 21' ' ' THR . 4.4 ppp? -63.14 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.716 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -60.96 -38.95 87.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.307 0.575 . . . . 0.0 110.019 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.92 -35.41 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.833 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.89 ' HG ' HG22 ' B' ' 18' ' ' VAL . 4.3 mp -57.45 -26.56 61.38 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.278 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -53.74 -38.55 64.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 111.467 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.83 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.053 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.97 -38.79 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.597 ' HB2' HG12 ' B' ' 18' ' ' VAL . 44.7 t -82.67 -23.28 34.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.331 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.38 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.434 ' HB2' ' OD2' ' A' ' 13' ' ' ASP . 41.7 ttt-85 . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.745 0.307 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.39 87.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.739 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.25 144.22 97.51 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.356 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.82 -43.91 48.44 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.319 2.679 . . . . 0.0 112.272 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' SER . 32.6 p90 -133.57 162.2 32.54 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 138.85 5.89 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 119.516 -1.326 . . . . 0.0 113.16 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -112.96 145.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' B' ' 8' ' ' ARG . 20.7 mmt85 -75.81 107.07 7.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.036 0.446 . . . . 0.0 111.143 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 15' ' ' CYS . 49.5 mt -120.57 130.76 54.34 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 m -129.71 133.37 47.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.0 112.419 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.41 -123.72 19.74 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.003 -0.999 . . . . 0.0 114.647 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.552 ' HA ' ' HE ' ' B' ' 12' ' ' ARG . 4.6 tpm_? -50.22 -41.57 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.434 0.694 . . . . 0.0 112.409 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.57 -38.69 92.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.377 0.423 . . . . 0.0 111.611 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.558 ' O ' HG23 ' B' ' 18' ' ' VAL . 22.1 t80 -59.18 -47.04 86.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.92 -45.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.934 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -62.04 -42.34 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.726 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -63.43 -35.83 81.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.793 HG22 ' HG ' ' A' ' 20' ' ' LEU . 93.3 t -65.93 -44.38 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' TRP . 6.2 mm -69.8 -39.65 78.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.424 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.37 -48.01 74.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.255 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.572 HG21 ' O ' ' A' ' 17' ' ' MET . 21.7 m -70.62 -34.8 72.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.267 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.94 -27.01 67.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.39 78.03 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.95 36.75 89.46 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.298 -0.451 . . . . 0.0 112.309 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -114.72 -32.99 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.851 0.358 . . . . 0.0 110.455 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.404 ' O ' HG23 ' B' ' 19' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.257 1.457 0 CA-C-O 117.047 -1.454 . . . . 0.0 107.963 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.797 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 120.426 0.155 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 6.5 p-10 -65.86 -31.88 73.08 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.139 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 19' ' ' ASP . 48.4 tp -70.3 -66.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.747 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -76.82 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 112.138 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.797 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 90.0 m -58.34 -52.75 64.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.118 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -94.98 34.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -69.86 -37.46 76.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.499 0.666 . . . . 0.0 109.686 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.16 -31.29 65.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -84.39 -50.06 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' B' ' 1' ' ' ARG . 42.1 t0 -106.79 -63.46 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.17 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.18 143.05 3.74 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.679 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 29.2 p -127.58 143.96 51.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.555 ' O ' HD13 ' A' ' 20' ' ' LEU . 12.1 t -82.99 141.61 31.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.572 ' O ' HG21 ' B' ' 21' ' ' THR . 62.6 mtm -65.73 -32.92 74.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -65.85 -40.89 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 109.763 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.609 ' HB3' HD21 ' A' ' 6' ' ' LEU . 1.1 m-20 -67.04 -36.82 82.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.627 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.793 ' HG ' HG22 ' B' ' 18' ' ' VAL . 4.8 mp -62.02 -28.43 69.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.405 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -56.39 -40.43 74.6 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.921 0.391 . . . . 0.0 110.527 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.15 -34.23 74.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.993 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.56 -35.42 80.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.48 -35.97 82.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.426 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.491 -0.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.577 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 14.1 ptm180 . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 121.187 0.518 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.18 90.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.45 141.42 65.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.755 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -44.93 -48.44 10.84 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.834 3.022 . . . . 0.0 113.96 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' SER . 26.0 t80 -64.89 140.27 58.85 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.803 -178.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.47 121.74 1.01 Allowed Glycine 0 N--CA 1.435 -1.401 0 C-N-CA 120.244 -0.979 . . . . 0.0 112.968 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.402 ' N ' ' H ' ' A' ' 15' ' ' CYS . 5.4 p -108.68 142.39 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 13' ' ' ASP . 56.2 mtt85 -65.94 120.93 13.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.162 0.505 . . . . 0.0 111.314 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.842 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 39.3 mt -127.91 124.26 36.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.855 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 58.2 m -136.4 144.41 44.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.178 0.513 . . . . 0.0 112.269 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.22 -126.9 37.74 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.938 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.491 ' HD2' ' O ' ' B' ' 12' ' ' ARG . 6.8 tmm_? -59.35 -39.9 84.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.976 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.19 -41.76 99.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.93 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.842 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.6 t80 -58.17 -53.7 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.285 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.53 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.586 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.69 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 3.4 tpm_? -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -61.39 -36.35 80.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 24' ' ' CYS . 84.2 t -62.52 -41.07 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.661 HG13 HH21 ' B' ' 16' ' ' ARG . 11.4 mm -70.25 -37.93 72.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.127 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.2 m-85 -54.79 -39.68 68.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.481 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 94.2 m -63.64 -41.99 98.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.65 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' CYS . . . . . 0.432 ' HB3' ' OG ' ' B' ' 25' ' ' SER . 2.6 m -74.58 -32.06 62.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.447 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.32 37.37 11.06 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.067 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.84 48.47 83.64 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.491 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' B' ' 22' ' ' CYS . 1.1 m -74.21 0.86 12.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.408 ' HG3' ' HD1' ' B' ' 27' ' ' TRP . 2.9 ptt-85 -170.09 -36.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.408 ' HD1' ' HG3' ' B' ' 26' ' ' ARG . 6.6 p-90 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 117.085 -1.436 . . . . 0.0 108.764 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.726 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.574 0.702 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.747 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 5.8 t70 -121.13 -60.03 1.67 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.51 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 19' ' ' ASP . 12.9 tp -63.42 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -91.98 -46.98 7.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.446 0.641 . . . . 0.0 110.906 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.726 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 35.9 m -85.49 -69.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -176.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.747 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mm? -52.03 -31.76 31.21 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 66.1 m -59.72 -34.47 72.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.89 -36.03 25.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.482 0.658 . . . . 0.0 109.504 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -64.91 -43.72 91.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.709 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.695 ' HA ' ' CZ ' ' B' ' 8' ' ' ARG . 38.8 t70 -137.83 -47.54 0.55 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 10' ' ' CYS . . . -179.09 156.82 19.54 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 118.666 -1.73 . . . . 0.0 114.484 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -138.86 141.69 38.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.368 -0.416 . . . . 0.0 111.169 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.2 t -98.51 147.63 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.501 ' HA ' HD12 ' A' ' 20' ' ' LEU . 69.2 mtm -63.09 -36.86 84.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -61.47 -35.66 78.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.65 ' HB3' HD13 ' A' ' 6' ' ' LEU . 1.8 m-20 -69.76 -43.26 72.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.061 0.458 . . . . 0.0 109.853 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.752 HD22 HG22 ' B' ' 18' ' ' VAL . 86.8 mt -54.07 -32.31 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.818 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -53.14 -33.38 52.17 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.686 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.61 92.76 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 6' ' ' LEU . 93.3 mt -69.87 -39.09 76.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.798 ' HB2' HG12 ' B' ' 18' ' ' VAL . 40.3 t -74.65 -20.74 59.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.538 ' HB2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.748 0.308 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.13 -43.12 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.867 0.365 . . . . 0.0 111.064 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.39 142.64 78.45 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.509 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -59.41 -43.83 37.39 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.25 2.633 . . . . 0.0 111.936 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 16' ' ' SER . 43.4 p90 -83.12 142.8 30.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.837 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.78 155.68 26.81 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.482 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.54 150.19 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -68.17 120.53 14.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.583 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 33.8 mt -134.53 130.85 37.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -141.5 140.67 33.56 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.38 -123.85 8.76 Favored Glycine 0 C--N 1.333 0.41 0 CA-C-N 114.746 -1.115 . . . . 0.0 114.874 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -52.09 -43.91 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.825 -0.688 . . . . 0.0 112.385 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -41.35 91.23 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.244 0.545 . . . . 0.0 110.142 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.505 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.3 t80 -59.35 -49.9 76.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.862 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.0 -39.78 86.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.053 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -65.07 -38.66 91.52 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.678 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.62 77.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.522 HG12 ' HB2' ' A' ' 24' ' ' CYS . 92.2 t -64.12 -44.45 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 109.377 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.556 HD12 ' HB2' ' B' ' 25' ' ' SER . 13.8 mm -69.95 -40.64 78.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.81 88.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.353 0.597 . . . . 0.0 109.567 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 17' ' ' MET . 24.6 m -71.07 -33.14 69.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.425 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.04 -39.15 88.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.1 -47.33 1.03 Allowed Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.141 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.13 55.44 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.044 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.556 ' HB2' HD12 ' B' ' 19' ' ' ILE . 1.8 m -64.52 152.93 40.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -99.01 51.39 0.96 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.449 ' NE1' ' HB3' ' B' ' 25' ' ' SER . 34.5 p-90 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 117.742 -1.123 . . . . 0.0 109.085 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.795 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 121.989 0.9 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -93.68 -64.32 1.1 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.833 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.732 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.1 mm? -68.64 -32.39 72.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.264 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -86.3 -50.82 6.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.123 0.487 . . . . 0.0 111.447 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.795 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 8.1 m -90.6 -61.39 1.69 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' B' ' 1' ' ' ARG . 15.6 tp -55.54 -32.52 63.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.732 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 74.1 m -59.49 -34.35 72.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.869 0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -82.37 -32.34 29.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.069 0.461 . . . . 0.0 110.197 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.46 ' HB ' HD12 ' A' ' 9' ' ' LEU . 5.2 m -71.36 -48.87 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.659 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.24 -66.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.52 153.49 6.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.0 m -137.67 152.43 49.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.484 ' HB2' ' CE2' ' B' ' 5' ' ' TYR . 54.1 p -85.54 163.44 18.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.516 ' HB2' ' OG1' ' B' ' 21' ' ' THR . 0.0 OUTLIER -66.53 -22.92 66.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.263 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 m -65.85 -41.81 91.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.985 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.72 ' HB3' HD11 ' A' ' 6' ' ' LEU . 2.1 m-20 -61.84 -44.72 96.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.612 0.72 . . . . 0.0 109.948 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG22 ' B' ' 18' ' ' VAL . 11.3 mp -67.05 -23.09 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.434 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -56.07 -39.21 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.713 0.292 . . . . 0.0 111.602 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -28.21 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 6' ' ' LEU . 98.9 mt -69.28 -38.89 78.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB2' HG12 ' B' ' 18' ' ' VAL . 23.4 t -81.61 73.77 8.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.437 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.414 HH21 ' CG ' ' A' ' 13' ' ' ASP . 11.6 ttm180 . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.89 -55.06 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -75.43 152.92 85.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.414 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.53 -49.82 14.77 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.061 2.507 . . . . 0.0 113.155 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -73.7 153.55 40.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.22 135.61 4.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.195 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.14 147.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -79.13 116.56 19.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 57.1 mt -129.54 135.11 48.19 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 76.6 m -142.35 156.21 45.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.498 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.431 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 51.65 -139.72 26.76 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.339 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.623 ' HA ' HG12 ' B' ' 15' ' ' ILE . 0.0 OUTLIER -70.34 -18.39 63.08 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -179.695 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.71 -43.24 94.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 31.5 t80 -61.19 -47.66 85.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.39 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.623 HG12 ' HA ' ' B' ' 12' ' ' ARG . 8.6 mm -58.13 -43.32 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.562 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.8 mmp_? -66.24 -41.53 89.86 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.54 77.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.855 0.36 . . . . 0.0 111.061 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 20' ' ' LEU . 91.3 t -66.21 -44.37 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.497 0.665 . . . . 0.0 109.341 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.562 HG13 ' NH2' ' B' ' 16' ' ' ARG . 31.4 mm -70.2 -34.98 61.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.21 -41.8 89.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.433 HG21 ' O ' ' A' ' 17' ' ' MET . 90.8 m -64.31 -39.4 93.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.851 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' B' ' 25' ' ' SER . 23.3 m -77.29 -6.94 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.436 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.72 42.18 95.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.904 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 54.73 11.92 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.79 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' B' ' 22' ' ' CYS . 3.2 p -57.24 -37.43 72.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -161.28 -40.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.675 -178.112 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.704 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.227 -0.11 0 CA-C-O 121.479 0.657 . . . . 0.0 111.402 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 2.2 t70 -126.44 -57.51 1.37 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.134 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 15' ' ' CYS . 45.0 tp -58.8 -41.81 87.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.204 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' HA ' ' CZ ' ' B' ' 14' ' ' PHE . 39.5 tt0 -90.46 -62.64 1.41 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.605 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.704 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 42.1 m -65.41 -57.91 7.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -177.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 5' ' ' ASP . 15.2 tp -69.78 -4.37 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.7 t -63.59 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.041 -0.412 . . . . 0.0 110.541 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.69 -37.65 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.893 0.377 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.463 ' HB ' HD12 ' A' ' 9' ' ' LEU . 8.0 m -82.15 -58.75 2.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' CG ' HH21 ' B' ' 1' ' ' ARG . 29.1 t70 -92.41 -51.89 4.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.78 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.48 139.16 5.25 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.695 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HB2' HD12 ' A' ' 6' ' ' LEU . 26.9 p -115.6 140.78 48.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.509 . . . . 0.0 110.782 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.41 143.32 32.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.619 -179.192 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.433 ' O ' HG21 ' B' ' 21' ' ' THR . 4.6 mpp? -58.86 -39.91 82.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 110.43 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 m -59.25 -41.52 88.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.81 -37.13 86.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.612 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' B' ' 18' ' ' VAL . 69.2 mt -52.33 -32.21 36.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.471 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -52.68 -28.28 21.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.06 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.82 92.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' A' ' 6' ' ' LEU . 78.7 mt -74.79 -41.94 59.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 111.648 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -19.43 55.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.638 -0.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.985 0.421 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.92 92.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.085 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 16' ' ' SER . . . -90.72 137.8 26.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.225 179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 44.7 Cg_exo -57.67 -46.59 25.93 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.724 2.283 . . . . 0.0 112.102 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -70.67 145.54 50.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.56 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.37 145.65 8.98 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.93 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.32 144.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.661 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 55.3 mtt85 -77.11 124.55 27.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.496 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.694 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 23.2 mt -131.97 128.63 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.221 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 m -140.95 148.83 41.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.196 0.522 . . . . 0.0 111.827 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.18 -133.67 52.59 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.974 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -64.73 -29.18 70.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.352 . . . . 0.0 111.783 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.07 -41.69 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.375 0.607 . . . . 0.0 109.544 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.694 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.1 t80 -61.33 -49.41 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.015 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 46.1 mm -56.92 -44.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.759 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 16' ' ' ARG . 27.8 ttm105 -63.23 -43.88 96.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.135 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.85 78.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 14' ' ' PHE . 81.6 t -65.38 -44.09 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.469 HG23 ' O ' ' B' ' 27' ' ' TRP . 5.7 mm -68.84 -39.41 79.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.053 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.78 -47.99 76.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.34 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 17' ' ' MET . 34.8 m -67.91 -36.36 80.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.057 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -26.45 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.65 25.56 75.51 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.37 35.8 86.46 Favored Glycine 0 CA--C 1.521 0.453 0 CA-C-N 115.322 -0.439 . . . . 0.0 112.406 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -66.77 -40.59 88.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.069 0.462 . . . . 0.0 111.676 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.576 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 4.4 mmp_? -115.97 -37.96 3.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.469 ' O ' HG23 ' B' ' 19' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.257 1.456 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.835 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.638 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.681 0.753 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 1.7 t70 -123.03 -59.64 1.57 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.679 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.711 ' HB3' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.54 -38.46 91.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.403 0.62 . . . . 0.0 110.419 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -86.46 -46.4 10.24 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.457 0.646 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.638 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 29.6 m -82.15 -66.7 0.86 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -177.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 3.4 mm? -51.93 -38.85 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.2 m -59.66 -34.91 73.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.0 t -85.13 -39.57 17.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.938 0.399 . . . . 0.0 110.329 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -66.71 -45.06 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.661 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 35.5 t0 -132.98 -46.8 0.85 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.879 0.371 . . . . 0.0 111.45 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.19 167.9 11.09 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.32 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -157.41 158.85 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB2' ' HB3' ' B' ' 3' ' ' ALA . 48.2 t -73.42 155.9 38.83 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.567 ' O ' HG21 ' B' ' 21' ' ' THR . 0.1 OUTLIER -59.88 -33.11 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -54.06 -38.66 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.788 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.06 -40.16 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.638 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.2 mp -58.71 -36.72 74.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.734 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -54.81 -33.01 61.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 6' ' ' LEU . 74.3 mt -71.18 -35.83 71.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.432 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t -71.75 -24.6 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.506 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.458 ' HD2' ' OD1' ' A' ' 13' ' ' ASP . 4.1 tpm_? . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.777 0.322 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.4 63.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.302 0.572 . . . . 0.0 110.134 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.18 142.22 87.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.523 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.53 -45.66 39.42 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.125 2.55 . . . . 0.0 112.724 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' SER . 49.5 p90 -128.13 164.08 23.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.08 132.59 2.71 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.237 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.83 145.0 10.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -75.74 113.74 13.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.048 0.451 . . . . 0.0 110.477 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.852 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 51.5 mt -126.54 137.28 53.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 108.963 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -133.09 136.27 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.1 -121.6 6.32 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.088 -0.96 . . . . 0.0 114.915 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -55.24 -44.29 75.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.801 -0.7 . . . . 0.0 112.307 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.85 -38.89 92.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.897 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.852 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.7 t80 -60.27 -51.02 71.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.561 177.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.528 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.7 mt -63.26 -40.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.607 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.3 mmp_? -62.8 -38.66 91.57 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.208 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.49 -37.95 88.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.32 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.809 HG22 HD22 ' A' ' 20' ' ' LEU . 94.4 t -62.81 -40.44 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.607 HG13 ' NH2' ' B' ' 16' ' ' ARG . 15.5 mm -69.35 -35.49 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.119 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -43.22 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -72.93 -37.2 67.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.416 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.19 -37.07 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.169 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.44 -5.63 35.62 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.351 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 61.94 36.77 93.32 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.421 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.04 30.24 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 63.8 ttp180 -173.82 -35.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.156 0.503 . . . . 0.0 110.467 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.439 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 116.983 -1.484 . . . . 0.0 108.722 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.766 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.217 -0.624 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.814 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 32.8 p-10 -68.67 -30.59 69.3 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.088 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 15' ' ' CYS . 36.2 tp -66.92 -58.41 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.701 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' HG3' ' CZ ' ' B' ' 14' ' ' PHE . 58.8 tt0 -89.58 -59.68 2.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.368 0.604 . . . . 0.0 111.801 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.766 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 75.7 m -57.97 -54.56 45.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.814 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 96.9 mt -93.52 22.6 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -177.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 42.2 t -69.3 -30.71 68.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.43 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -83.86 31.21 0.49 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.499 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -159.71 -57.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.323 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' OD1' ' HD2' ' B' ' 1' ' ' ARG . 44.9 t0 -88.96 -36.91 15.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.575 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.26 128.72 6.18 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.951 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.613 ' HB2' HD12 ' A' ' 6' ' ' LEU . 9.7 p -100.65 145.81 27.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.8 t -82.53 146.93 28.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.046 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.48 -40.01 93.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 p -61.25 -42.38 98.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.465 0.65 . . . . 0.0 111.018 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 16' ' ' SER . 1.0 OUTLIER -67.11 -32.59 73.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.556 -179.116 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.809 HD22 HG22 ' B' ' 18' ' ' VAL . 80.3 mt -56.81 -32.66 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.709 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.49 -40.63 62.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.442 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.43 80.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.652 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' A' ' 6' ' ' LEU . 85.6 mt -63.46 -35.88 81.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.497 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t -71.5 -29.77 65.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 110.429 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.336 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.647 ' HA ' ' OD2' ' A' ' 19' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 121.167 0.508 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.13 -41.45 18.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.823 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -83.73 137.13 41.37 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.047 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.19 -46.63 14.7 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 111.852 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.602 ' HE1' ' H ' ' A' ' 17' ' ' MET . 27.7 p90 -62.27 147.42 48.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.571 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.34 139.61 6.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.693 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -117.27 136.51 54.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.912 0.387 . . . . 0.0 110.222 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.83 125.53 26.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.411 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.68 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 22.2 mt -134.39 137.7 44.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.78 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -140.77 139.08 34.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.823 0.345 . . . . 0.0 111.359 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.24 -126.71 34.51 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.478 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.883 ' H ' ' HD3' ' B' ' 12' ' ' ARG . 0.2 OUTLIER -55.88 -40.5 73.04 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.161 0.585 . . . . 0.0 111.141 -179.007 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -59.19 -42.43 90.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.595 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.68 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.2 t80 -61.1 -49.99 75.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.841 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.531 HG23 ' CE3' ' B' ' 27' ' ' TRP . 1.7 mp -59.4 -44.78 93.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.801 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -65.32 -37.96 88.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.41 -37.68 87.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 20' ' ' LEU . 87.9 t -65.82 -41.91 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.527 HG13 ' OXT' ' B' ' 27' ' ' TRP . 19.4 mm -69.47 -36.08 69.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.062 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -39.72 73.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.0 m -63.34 -38.39 90.98 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.342 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 m -83.64 -5.22 59.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.408 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.61 -42.53 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.316 -0.469 . . . . 0.0 112.102 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.18 147.62 8.09 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.518 ' HB3' HD12 ' B' ' 19' ' ' ILE . 9.1 t -157.49 -156.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.102 0.451 . . . . 0.0 110.459 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.563 ' O ' ' HD2' ' B' ' 26' ' ' ARG . 5.6 tmm_? -85.12 -37.79 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' TRP . . . . . 0.531 ' CE3' HG23 ' B' ' 15' ' ' ILE . 2.1 p-90 . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.341 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PCA . . . . . 0.769 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.71 0.291 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -73.34 62.52 0.71 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.769 1.271 . . . . 0.0 109.512 178.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp -179.87 -78.34 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.971 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 60.8 tt0 -65.05 -48.87 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.298 0.57 . . . . 0.0 110.79 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.769 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 23.6 m -57.9 -43.58 86.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.003 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 13' ' ' ASP . 3.9 pp -93.35 13.89 20.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 0.5 OUTLIER -65.25 -44.69 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -88.16 38.38 0.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.948 0.404 . . . . 0.0 110.662 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -155.36 -54.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.564 ' HB3' HD13 ' A' ' 9' ' ' LEU . 57.9 t0 -104.44 -71.9 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.61 142.17 3.43 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.632 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.595 ' HB3' HD21 ' A' ' 20' ' ' LEU . 68.0 m -89.82 135.81 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.567 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.619 ' HB3' ' HB3' ' B' ' 3' ' ' ALA . 2.8 m -85.98 137.46 32.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.782 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.602 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 56.8 ttp -56.9 -44.4 82.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.271 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -60.39 -42.1 95.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.221 0.534 . . . . 0.0 111.188 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.647 ' OD2' ' HA ' ' B' ' 1' ' ' ARG . 1.3 m-20 -67.06 -35.08 79.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.78 HD22 HG22 ' B' ' 18' ' ' VAL . 84.8 mt -59.49 -30.64 68.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 -36.83 67.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.12 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.338 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.6 -37.4 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.703 ' HB2' HG12 ' B' ' 18' ' ' VAL . 32.6 t -72.87 -29.79 63.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.446 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 20.4 p90 . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.771 0.319 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.43 143.2 10.22 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.74 142.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.769 0.318 . . . . 0.0 110.73 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -72.91 113.76 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.093 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.846 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 69.2 mt -127.85 132.24 49.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 39.1 m -142.26 151.7 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.75 0.31 . . . . 0.0 111.017 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.41 -133.06 38.84 Favored Glycine 0 CA--C 1.519 0.284 0 N-CA-C 114.708 0.643 . . . . 0.0 114.708 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.503 ' HD2' ' OE1' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -67.23 -30.14 69.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.213 -179.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.503 ' OE1' ' HD2' ' B' ' 12' ' ' ARG . 52.5 mp0 -63.8 -40.95 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.846 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 7.0 t80 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.045 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.7 -39.89 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' B' ' 16' ' ' ARG . 14.6 mmt180 -63.89 -39.11 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.259 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.441 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -64.43 -34.9 79.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.801 0.334 . . . . 0.0 110.687 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.849 HG22 HD22 ' A' ' 20' ' ' LEU . 60.7 t -65.56 -44.93 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 121.609 0.718 . . . . 0.0 109.09 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' B' ' 27' ' ' TRP . 11.4 mm -69.88 -34.0 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.348 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 17' ' ' MET . 33.3 m -67.86 -35.66 78.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.884 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.34 -25.62 68.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.666 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.5 32.66 8.53 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.574 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.65 55.78 25.15 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.67 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -59.57 -50.43 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -173.86 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 111.595 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.777 ' HB2' HG21 ' B' ' 19' ' ' ILE . 32.2 m95 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 5.0 p-10 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 121.243 0.544 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' ' 19' ' ' ASP . 24.3 tp -73.11 -52.13 15.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.735 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.475 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 7.8 tt0 -90.08 -62.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.426 0.631 . . . . 0.0 112.078 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.6 m -56.06 -57.26 12.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.914 -1.039 . . . . 0.0 113.421 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HG ' ' HB3' ' A' ' 13' ' ' ASP . 26.2 tp -69.34 -14.72 63.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 18.8 t -64.28 -38.5 91.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 111.45 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 t -74.84 -32.05 61.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -83.18 -57.35 3.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.537 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -103.12 -59.8 1.65 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.347 -179.097 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.91 142.19 3.82 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.192 -1.004 . . . . 0.0 112.688 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.689 ' SG ' HD21 ' A' ' 20' ' ' LEU . 28.6 p -117.61 145.12 44.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -78.18 142.14 38.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.507 ' O ' HG21 ' B' ' 21' ' ' THR . 66.1 mtm -59.04 -39.32 81.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.83 0.348 . . . . 0.0 110.196 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -57.77 -41.02 81.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.46 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.574 ' HB3' HD13 ' A' ' 6' ' ' LEU . 10.2 m-20 -63.33 -39.32 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.849 HD22 HG22 ' B' ' 18' ' ' VAL . 90.2 mt -54.73 -31.32 58.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.561 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -52.11 -33.21 38.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.864 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.71 85.03 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HG ' HD21 ' A' ' 6' ' ' LEU . 84.5 mt -68.99 -40.2 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.577 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.546 ' HE1' ' HA3' ' A' ' 14' ' ' GLY . 7.5 t80 . . . . . 0 N--CA 1.447 -0.581 0 CA-C-O 120.558 0.218 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.93 -58.58 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.229 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -173.94 157.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 117.008 0.404 . . . . 0.0 111.483 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.683 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 54.5 mtt85 -83.54 130.57 35.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -136.74 136.87 39.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 64.5 m -139.17 168.37 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.098 0.475 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.35 -146.57 15.34 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.323 -0.853 . . . . 0.0 114.125 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.469 ' NE ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -71.07 -12.68 61.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.102 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.401 ' CD ' ' HE ' ' B' ' 12' ' ' ARG . 6.8 mp0 -68.28 -46.05 71.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 7' ' ' GLN . 34.0 t80 -61.62 -48.16 82.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.44 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.503 ' O ' HD13 ' B' ' 19' ' ' ILE . 1.8 mp -58.35 -47.21 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.452 ' NH2' HG12 ' B' ' 19' ' ' ILE . 1.6 tpm_? -63.33 -39.46 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.486 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -62.11 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.764 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.618 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 62.1 t -63.15 -42.98 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.503 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -65.13 -45.9 92.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.381 -1.282 . . . . 0.0 109.575 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 2.4 m-85 -55.94 -51.63 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.132 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 17' ' ' MET . 24.6 m -65.14 -31.76 73.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.015 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 t -69.83 -41.32 75.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.53 -37.36 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.22 56.72 6.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.815 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 23.9 m -150.31 -47.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 0.0 110.604 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.289 0.566 . . . . 0.0 109.726 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.462 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.221 0 CA-C-N 114.726 -1.125 . . . . 0.0 108.017 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 1.4 t70 . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 121.197 0.522 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.2 mm? -91.27 -92.09 0.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 65.2 tp60 -42.97 -51.12 5.75 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.8 m -69.8 -60.43 2.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 27.4 tp -61.31 -41.99 97.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.589 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 79.7 m -60.14 -25.92 65.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.4 t -86.88 -44.96 11.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 m -68.12 -55.27 13.05 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.683 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 37.5 t70 -114.22 -35.36 5.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.293 0.568 . . . . 0.0 110.945 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.589 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.39 -166.64 12.37 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.037 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' HB2' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p -173.67 174.97 3.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -80.41 149.16 30.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.551 ' O ' HG21 ' B' ' 21' ' ' THR . 3.6 mpp? -58.11 -35.8 71.98 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 m -61.44 -31.18 71.12 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' ' 15' ' ' CYS . 63.3 m-20 -59.85 -35.27 74.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.618 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.4 mp -61.66 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.433 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m -52.81 -31.94 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.07 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 6' ' ' LEU . 54.5 mt -68.31 -30.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 37.2 t . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 120.939 0.399 . . . . 0.0 111.002 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.631 ' HE1' ' H ' ' A' ' 17' ' ' MET . 53.9 p90 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.76 141.33 7.3 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.898 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.6 138.35 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.231 0.539 . . . . 0.0 110.58 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 mmt85 -73.53 120.16 18.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.943 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 35.0 mt -123.94 136.28 54.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.999 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 77.4 m -138.67 136.79 36.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.025 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.05 -120.19 10.43 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 114.92 0.728 . . . . 0.0 114.92 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.56 ' HE ' ' HA ' ' B' ' 12' ' ' ARG . 4.2 tpm_? -57.48 -41.26 80.31 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.121 0.568 . . . . 0.0 112.278 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.83 -42.64 98.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.637 ' CE2' ' HG3' ' A' ' 7' ' ' GLN . 42.4 t80 -58.44 -47.87 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.687 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.613 ' O ' HD13 ' B' ' 19' ' ' ILE . 50.5 mm -60.26 -45.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.988 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -63.16 -38.49 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.352 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.479 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.36 -34.38 78.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.015 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.61 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.8 t -65.14 -42.9 95.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.613 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.2 mp -64.2 -43.0 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.047 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.93 -36.21 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -61.11 -35.74 77.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 m -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.53 30.72 78.65 Favored Glycine 0 C--N 1.33 0.227 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.0 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.679 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.83 28.19 52.04 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.446 -0.407 . . . . 0.0 112.892 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 42.1 m -92.11 28.32 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 111.267 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -177.08 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.42 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.679 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.071 -1.443 . . . . 0.0 108.426 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' A' ' 9' ' ' LEU . 13.9 p-10 . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.991 0.425 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.7 tp -81.69 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.707 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.637 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 45.4 tt0 -76.55 -57.24 3.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.268 0.556 . . . . 0.0 112.089 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -56.9 -47.28 80.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.234 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.642 HD13 ' HA ' ' A' ' 5' ' ' ASP . 9.2 mp -93.22 26.74 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 13.6 t -68.86 -38.58 79.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.27 0.557 . . . . 0.0 109.812 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.54 ' O ' ' HD2' ' B' ' 8' ' ' ARG . 66.7 m -73.47 -22.18 60.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.444 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -87.23 -52.39 5.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.77 -64.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.491 . . . . 0.0 111.182 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.74 113.92 1.67 Allowed Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' B' ' 9' ' ' LEU . 87.7 m -67.71 147.41 52.69 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.8 m -120.3 147.19 45.32 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.953 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.631 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 59.5 ttp -53.46 -38.49 63.63 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.273 0.358 . . . . 0.0 111.514 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -48.59 80.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.876 0.37 . . . . 0.0 111.596 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.99 -42.38 94.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.458 0.647 . . . . 0.0 110.28 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.61 ' HG ' HG22 ' B' ' 18' ' ' VAL . 7.2 mp -64.68 -24.85 67.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.053 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -56.22 -38.44 71.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.411 . . . . 0.0 110.455 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.14 71.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.993 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.81 -42.64 70.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 179.52 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 9.1 p90 . . . . . 0 N--CA 1.45 -0.429 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.33 150.39 19.54 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.639 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.12 144.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.756 0.312 . . . . 0.0 110.29 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 68.0 mtt85 -80.9 120.33 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.825 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 49.2 mt -125.79 131.77 52.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.522 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' B' ' 13' ' ' GLU . 1.5 m -152.13 163.94 38.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.755 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.18 -137.7 49.65 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.159 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.834 ' H ' ' HD3' ' B' ' 12' ' ' ARG . 0.1 OUTLIER -64.82 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.758 0.313 . . . . 0.0 110.286 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 10' ' ' CYS . 9.3 mp0 -62.04 -45.16 94.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.244 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.542 ' O ' HG23 ' B' ' 18' ' ' VAL . 43.2 t80 -60.54 -53.79 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.144 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.535 ' O ' HG12 ' B' ' 19' ' ' ILE . 1.9 mp -59.11 -43.08 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.763 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.821 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 2.0 tpm_? -62.13 -46.61 88.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.028 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.33 88.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.317 0.386 . . . . 0.0 111.676 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.546 HG22 HD22 ' A' ' 20' ' ' LEU . 96.1 t -65.34 -42.88 94.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.752 HG21 ' HB2' ' B' ' 27' ' ' TRP . 6.6 mm -70.61 -34.96 59.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.394 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.502 HG21 ' O ' ' A' ' 17' ' ' MET . 38.9 m -68.71 -35.63 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.009 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.53 -20.23 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.46 29.58 26.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.233 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.04 53.92 38.95 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.78 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -53.67 -54.37 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -171.35 53.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.314 0.578 . . . . 0.0 111.015 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.752 ' HB2' HG21 ' B' ' 19' ' ' ILE . 37.4 m95 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.105 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.978 0.418 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 26.5 tp -66.42 -58.39 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -90.43 -61.85 1.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.7 m -54.81 -52.84 61.44 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CB ' ' HA ' ' A' ' 5' ' ' ASP . 22.2 tp -79.02 -6.95 57.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 13.2 t -63.83 -36.68 84.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -43.25 66.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.133 0.492 . . . . 0.0 110.96 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.504 ' HB ' HD12 ' A' ' 9' ' ' LEU . 5.9 m -73.96 -47.51 36.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.397 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.542 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 16.9 t70 -114.1 -65.93 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.638 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.84 153.28 6.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.918 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.5 p -133.7 143.46 48.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.091 0.472 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' B' ' 5' ' ' TYR . 17.8 m -80.94 148.07 29.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.511 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.502 ' O ' HG21 ' B' ' 21' ' ' THR . 4.7 ppp? -61.94 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.206 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -59.22 -36.86 76.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.039 0.447 . . . . 0.0 110.513 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.466 ' HB3' HD13 ' A' ' 6' ' ' LEU . 7.0 m-20 -63.63 -38.94 93.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.502 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.546 HD22 HG22 ' B' ' 18' ' ' VAL . 73.4 mt -55.65 -31.58 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.739 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -50.88 -35.85 34.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.024 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.09 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.6 -39.02 74.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HB2' HG12 ' B' ' 18' ' ' VAL . 37.7 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 120.94 0.4 . . . . 0.0 110.396 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 p90 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.26 159.25 31.0 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.094 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.13 149.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 10' ' ' CYS . 22.7 mmt85 -70.69 116.85 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.765 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 45.7 mt -132.7 131.67 41.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -141.05 144.01 34.71 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.911 0.386 . . . . 0.0 111.682 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.542 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 57.23 -138.12 48.33 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.723 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.576 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 25.9 tpt180 -61.3 -26.74 67.99 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 122.137 0.175 . . . . 0.0 111.194 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -64.55 -42.61 95.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.765 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 43.6 t80 -63.86 -43.02 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.633 HG23 ' CZ3' ' B' ' 27' ' ' TRP . 46.5 mm -56.85 -48.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.409 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 39.0 mtm105 -61.36 -35.4 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.074 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.75 83.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.826 0.346 . . . . 0.0 110.283 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.683 HG22 ' HG ' ' A' ' 20' ' ' LEU . 65.0 t -65.48 -43.98 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.519 HD11 ' CE2' ' B' ' 27' ' ' TRP . 8.8 mm -68.4 -34.86 68.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.952 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -39.9 83.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -62.85 -41.68 99.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.735 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 10.7 m -81.99 -23.15 36.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.201 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.56 37.32 40.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.76 139.9 8.35 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -152.92 -87.0 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.637 0.719 . . . . 0.0 112.403 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -142.4 18.93 2.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.394 0.14 . . . . 0.0 110.706 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.731 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 2.3 p-90 . . . . . 0 C--O 1.254 1.338 0 CA-C-O 118.841 -0.6 . . . . 0.0 109.576 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.887 ' HA ' HD13 ' A' ' 9' ' ' LEU . 6.8 t70 . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 121.484 0.659 . . . . 0.0 109.956 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 1.6 mm? -68.09 -58.07 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -90.9 -59.41 2.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.5 m -48.5 -53.1 19.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.565 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.887 HD13 ' HA ' ' A' ' 5' ' ' ASP . 11.0 mp -71.82 -29.23 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 28.4 t -59.14 -40.32 85.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.0 0.429 . . . . 0.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m -68.02 -25.65 65.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.165 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -82.42 -49.03 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.374 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.29 -70.34 0.79 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.94 138.08 2.33 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' B' ' 9' ' ' LEU . 7.9 p -107.94 144.1 35.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.43 . . . . 0.0 111.841 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.568 ' O ' HD13 ' A' ' 20' ' ' LEU . 30.8 t -83.64 145.41 28.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttp -56.24 -36.35 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.282 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -61.7 -40.02 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.309 0.576 . . . . 0.0 111.276 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.69 -40.21 94.99 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.243 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.683 ' HG ' HG22 ' B' ' 18' ' ' VAL . 8.3 mp -58.06 -33.78 69.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.926 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -53.12 -33.62 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.96 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -36.28 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.731 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 48.7 t . . . . . 0 C--O 1.239 0.53 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.8 p90 . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.57 134.6 2.94 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.112 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -80.29 137.3 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 110.238 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -82.5 117.62 22.64 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.155 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 12.5 mt -116.74 136.12 53.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.2 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.46 144.19 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.165 0.507 . . . . 0.0 112.042 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.72 -122.3 8.9 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.435 -0.802 . . . . 0.0 114.609 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.533 ' CD ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -55.98 -44.56 78.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.093 -0.553 . . . . 0.0 111.273 -179.196 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.43 ' OE2' ' HB2' ' B' ' 12' ' ' ARG . 2.7 mp0 -60.56 -40.83 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.554 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.647 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 15.3 t80 -61.55 -53.48 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.946 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.464 HG23 ' CZ3' ' B' ' 27' ' ' TRP . 1.7 mp -59.56 -42.41 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.079 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.875 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 0.9 OUTLIER -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 -178.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.52 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -62.87 -35.58 80.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.785 0.326 . . . . 0.0 111.41 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.786 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 99.2 t -63.56 -42.01 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.484 HG13 HH21 ' B' ' 16' ' ' ARG . 16.1 mm -74.27 -36.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.387 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 0.9 OUTLIER -55.62 -38.86 70.03 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 109.186 178.167 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -62.64 -37.29 85.77 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.285 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 18.1 m -85.95 -9.45 56.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.381 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.67 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.129 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.2 63.52 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -60.62 -46.78 88.99 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -170.8 -45.75 0.02 OUTLIER 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.299 -0.56 . . . . 0.0 112.421 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.464 ' CZ3' HG23 ' B' ' 15' ' ' ILE . 3.6 p-90 . . . . . 0 C--O 1.251 1.179 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--O 1.222 -0.349 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 19' ' ' ASP . 13.9 tp -66.98 -58.51 4.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.084 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' HG2' ' CE2' ' B' ' 14' ' ' PHE . 8.4 tm0? -68.43 -54.84 14.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.327 0.584 . . . . 0.0 111.854 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -66.29 -47.19 74.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.594 ' HG ' ' HB ' ' A' ' 12' ' ' THR . 1.4 tp -84.46 23.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.92 -29.51 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.752 -0.593 . . . . 0.0 109.945 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.0 m -81.17 -40.51 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.736 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.594 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 3.0 m -84.05 -45.49 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -89.26 -50.23 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.724 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.88 131.16 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 56.5 m -120.75 137.12 54.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.199 0.523 . . . . 0.0 112.202 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.574 ' O ' HD22 ' A' ' 20' ' ' LEU . 37.7 t -86.85 163.56 17.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.57 -34.82 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 109.98 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.648 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 6' ' ' LEU . 25.2 m-20 -64.15 -44.98 90.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.262 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.786 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 0.5 OUTLIER -64.82 -29.55 70.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.197 -179.78 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.3 m -53.97 -40.33 66.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.59 73.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.915 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.97 -42.4 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.74 ' HB2' HG12 ' B' ' 18' ' ' VAL . 9.3 t . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 120.957 0.408 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 p90 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.16 140.2 6.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.342 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.83 143.43 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.715 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 59.8 mtt85 -73.56 121.81 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.811 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.4 mt -125.67 134.46 51.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.823 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 73.0 m -140.1 146.85 39.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.795 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.15 -128.97 45.15 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.977 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.437 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 2.4 mtm180 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.467 -0.366 . . . . 0.0 111.204 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 10' ' ' CYS . 1.1 mm-40 -61.67 -41.29 97.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.811 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.5 t80 -59.81 -53.58 56.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.201 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -62.68 -41.3 91.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -60.67 -44.65 96.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.54 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.41 80.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.825 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.94 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.9 t -66.51 -45.12 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.483 HG21 ' OXT' ' B' ' 27' ' ' TRP . 8.1 mm -67.5 -34.51 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.071 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -45.19 86.78 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.425 HG21 ' O ' ' A' ' 17' ' ' MET . 35.6 m -67.2 -35.63 80.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.376 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.1 t -64.99 -30.13 71.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.05 -33.17 0.87 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.283 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.59 53.01 37.88 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.641 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -153.89 -47.05 0.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtt85 -64.78 -29.84 70.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.03 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.483 ' OXT' HG21 ' B' ' 19' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.874 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.994 0.426 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 tp -97.54 -24.23 15.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.968 0.413 . . . . 0.0 110.314 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -92.8 -60.56 1.78 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.473 0.654 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -72.04 -50.72 26.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 28.3 mt -56.97 -15.94 5.95 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 87.0 m -62.92 -38.89 92.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.65 -38.6 28.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.157 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -62.34 -47.71 83.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.929 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.715 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 42.9 t0 -135.71 -54.2 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.787 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.37 161.3 10.12 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.004 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.6 m -136.97 139.99 41.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' HD13 ' A' ' 20' ' ' LEU . 42.8 t -89.89 156.78 18.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.265 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.425 ' O ' HG21 ' B' ' 21' ' ' THR . 3.2 mpp? -57.6 -31.36 66.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -59.94 -42.21 93.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.379 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -67.95 -42.41 80.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.674 0.75 . . . . 0.0 109.283 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.94 ' HG ' HG22 ' B' ' 18' ' ' VAL . 6.2 mp -60.46 -29.23 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.598 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 m -56.97 -30.96 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.459 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.79 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.49 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -74.64 -36.64 62.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' B' ' 22' ' ' CYS . 5.3 t . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 20.4 p90 . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.99 134.3 2.99 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.183 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -93.18 145.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -72.26 116.74 13.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.96 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 72.9 mt -132.6 137.23 46.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -142.24 146.02 34.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.001 0.429 . . . . 0.0 111.447 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.95 -136.3 45.72 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.561 -0.745 . . . . 0.0 114.405 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 0.0 OUTLIER -68.99 -25.66 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.153 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -64.64 -38.62 91.61 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.96 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 1.6 t80 -61.71 -47.9 83.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.82 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.535 ' O ' HD13 ' B' ' 19' ' ' ILE . 60.8 mt -58.77 -37.72 67.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.391 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 57.3 mtt180 -55.33 -46.97 76.32 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 121.276 -0.17 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.418 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -64.64 -38.68 91.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.249 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.703 HG22 ' HB3' ' A' ' 20' ' ' LEU . 66.7 t -62.55 -43.57 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.923 0.868 . . . . 0.0 108.993 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.535 HD13 ' O ' ' B' ' 15' ' ' ILE . 0.5 OUTLIER -65.98 -46.58 87.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.2 -47.49 75.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.788 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.418 ' OG1' ' HB3' ' A' ' 17' ' ' MET . 24.0 m -66.87 -33.79 76.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 t -73.06 -42.06 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.235 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.58 -47.42 1.04 Allowed Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.609 ' HA2' ' HZ2' ' B' ' 27' ' ' TRP . . . 158.05 146.35 4.49 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.105 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.9 p -168.54 -99.95 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.712 0.256 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' B' ' 27' ' ' TRP . 6.9 tpp180 -150.36 115.28 5.31 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.347 0.594 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.609 ' HZ2' ' HA2' ' B' ' 24' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.355 0 CA-C-N 114.44 -1.255 . . . . 0.0 108.989 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.553 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 24.5 t70 . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 15' ' ' CYS . 2.6 mm? -61.77 -42.17 98.64 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.283 0.563 . . . . 0.0 110.292 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -84.71 -50.88 7.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.445 0.641 . . . . 0.0 110.694 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 m -77.23 -70.35 0.47 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 9.0 mp -63.29 -26.29 68.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.2 t -54.91 -36.45 65.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 118.181 0.446 . . . . 0.0 112.165 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -74.15 -24.67 59.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.148 0.499 . . . . 0.0 109.716 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 m -83.47 -50.89 7.84 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.845 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.89 -65.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.692 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.1 -179.36 39.71 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' B' ' 9' ' ' LEU . 21.9 p -157.03 134.29 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 110.098 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.634 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -82.15 144.16 30.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.305 -178.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.537 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.1 mpp? -57.31 -32.96 67.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.626 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 p -60.06 -44.45 94.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.417 0.627 . . . . 0.0 111.16 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' HB3' HD11 ' A' ' 6' ' ' LEU . 1.4 m-20 -68.8 -34.87 76.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.703 ' HB3' HG22 ' B' ' 18' ' ' VAL . 64.6 mt -62.89 -35.56 80.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.084 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.8 m -49.19 -37.74 23.67 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 6' ' ' LEU . 93.0 mt -66.16 -36.35 82.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 p90 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.638 0.256 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.65 145.24 9.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.927 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -94.16 148.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -70.49 113.92 8.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 48.2 mt -134.46 140.1 45.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 95.6 m -144.59 160.57 40.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 111.881 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.57 -125.46 3.45 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 114.933 -1.031 . . . . 0.0 115.614 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -69.5 -33.2 72.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.793 -0.703 . . . . 0.0 111.647 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' B' ' 13' ' ' GLU . 2.3 mp0 -62.82 -43.07 99.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.42 0.628 . . . . 0.0 109.306 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 20.4 t80 -61.12 -52.87 63.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.511 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 31.3 mt -61.63 -36.32 72.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -37.14 86.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.005 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -66.89 -33.55 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.753 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.823 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.6 t -63.58 -42.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.887 HG21 ' HB2' ' B' ' 27' ' ' TRP . 11.3 mm -70.26 -33.82 56.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.178 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.0 OUTLIER -58.3 -44.66 88.66 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -67.9 -35.87 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.754 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -5.27 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.031 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.37 68.3 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 113.143 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.86 49.2 72.67 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.439 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 20.1 p -64.46 -35.44 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 24.9 ptt-85 -167.2 44.65 0.05 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.887 ' HB2' HG21 ' B' ' 19' ' ' ILE . 36.5 m95 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.488 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.822 ' HA ' HD13 ' A' ' 9' ' ' LEU . 11.3 p-10 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.996 0.427 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 20.4 tp -86.82 -50.48 6.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.703 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.11 -57.17 2.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 112.069 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.6 m -52.96 -51.25 62.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.008 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' HA ' ' A' ' 5' ' ' ASP . 10.6 mp -70.52 -22.17 62.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 111.399 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 10.9 t -68.61 -36.46 78.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.166 0.508 . . . . 0.0 110.037 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.2 m -68.09 -35.36 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.883 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -80.78 -59.09 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -55.13 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.47 159.22 8.63 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.644 -1.265 . . . . 0.0 113.276 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' A' ' 20' ' ' LEU . 19.9 p -129.8 139.54 51.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.815 0.34 . . . . 0.0 110.126 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.558 ' O ' HD13 ' A' ' 20' ' ' LEU . 37.6 t -76.5 144.28 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.147 0.498 . . . . 0.0 111.267 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttm -55.72 -42.98 76.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.404 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.2 p -58.11 -42.58 86.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.743 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.93 -35.11 80.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.715 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HG ' HG22 ' B' ' 18' ' ' VAL . 6.1 mp -55.96 -34.42 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.326 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -50.19 -31.1 12.87 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.76 84.45 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HG ' HD23 ' A' ' 6' ' ' LEU . 61.5 mt -68.17 -40.58 82.25 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.871 0.367 . . . . 0.0 110.937 -179.567 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.8 p90 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.02 137.14 4.54 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.476 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.32 141.93 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 10' ' ' CYS . 34.3 ttm180 -75.54 125.61 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -135.13 140.54 45.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.65 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -144.63 173.19 12.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.085 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.435 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 47.98 -134.32 17.18 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.829 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.067 -0.567 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.16 -45.91 91.33 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.508 ' O ' HG23 ' B' ' 18' ' ' VAL . 28.8 t80 -62.24 -48.97 77.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.778 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.435 HG12 ' O ' ' B' ' 11' ' ' GLY . 50.8 mm -57.62 -43.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.079 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' B' ' 16' ' ' ARG . 4.7 mmp_? -66.46 -40.92 89.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.247 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.19 86.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.726 0.298 . . . . 0.0 111.314 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 14' ' ' PHE . 83.2 t -64.73 -43.43 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.509 0.671 . . . . 0.0 109.32 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.42 HG12 ' O ' ' B' ' 15' ' ' ILE . 6.0 mm -72.11 -35.51 53.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.639 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -47.59 82.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.469 HG21 ' O ' ' A' ' 17' ' ' MET . 30.4 m -67.54 -33.78 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.149 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.65 -28.17 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.865 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.39 16.89 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.059 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.9 53.16 44.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.215 -0.517 . . . . 0.0 113.159 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -65.53 -35.4 80.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 24.97 0.11 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.263 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.454 ' N ' ' CD1' ' B' ' 27' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.493 -1.242 . . . . 0.0 109.187 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.6 t0 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 121.4 0.619 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.7 mm? -64.93 -41.52 95.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.15 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -80.84 -39.72 26.1 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.632 0.73 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.2 m -89.08 -68.13 0.79 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.96 -36.21 67.57 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 81.0 m -59.32 -35.0 73.01 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.18 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 17.1 m -81.26 -27.77 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.958 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -78.37 -48.73 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.068 0.461 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.41 -71.32 0.74 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.249 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' B' ' 8' ' ' ARG . . . 154.82 164.86 13.36 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -141.72 158.88 43.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.814 0.807 . . . . 0.0 111.746 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.2 t -84.41 158.92 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.986 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.514 ' HE2' HD22 ' A' ' 20' ' ' LEU . 20.3 mmt -60.51 -33.28 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 p -61.81 -37.35 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.07 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 6' ' ' LEU . 53.4 m-20 -63.43 -47.29 82.54 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.577 0.703 . . . . 0.0 109.627 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.514 HD22 ' HE2' ' A' ' 17' ' ' MET . 11.0 mp -60.3 -31.19 70.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.033 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -54.13 -33.12 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.95 90.23 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 6' ' ' LEU . 35.5 mt -65.96 -40.38 91.25 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 -179.485 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 p90 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . 0.522 ' HA2' ' OG ' ' A' ' 16' ' ' SER . . . -175.16 125.55 1.09 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.451 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' SER . 7.2 p -87.74 138.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -89.21 121.17 31.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.0 mt -131.92 141.76 49.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.618 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.19 163.7 29.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.901 0.382 . . . . 0.0 111.659 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.29 -121.41 0.83 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' B' ' 15' ' ' ILE . 16.7 mmp_? -71.42 -32.95 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.869 -0.666 . . . . 0.0 111.569 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.502 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.1 mp0 -62.47 -43.28 99.2 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 37.5 t80 -59.17 -55.83 29.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.551 ' O ' HD13 ' B' ' 19' ' ' ILE . 10.3 tp -61.99 -39.47 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.494 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.642 ' NH2' HG12 ' B' ' 19' ' ' ILE . 5.2 mmp_? -65.6 -37.75 87.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.966 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.499 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -62.87 -34.35 77.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.738 0.304 . . . . 0.0 110.468 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.807 HG22 HD22 ' A' ' 20' ' ' LEU . 88.2 t -63.89 -43.22 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.642 HG12 ' NH2' ' B' ' 16' ' ' ARG . 1.7 mp -66.99 -43.4 89.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.727 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.62 -48.5 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.542 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 17' ' ' MET . 28.7 m -66.2 -36.91 84.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.518 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.93 -39.58 87.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.76 -22.98 4.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.582 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' OXT' ' B' ' 27' ' ' TRP . . . 68.73 32.89 74.74 Favored Glycine 0 C--O 1.229 -0.206 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.785 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -98.44 32.91 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.897 0.38 . . . . 0.0 111.252 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -172.29 -33.88 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.41 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.502 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.429 -0.805 . . . . 0.0 108.982 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 7.6 t70 . . . . . 0 C--O 1.224 -0.241 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 38.3 tp -64.06 -47.61 79.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.302 0.572 . . . . 0.0 109.811 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 7.7 tt0 -80.02 -55.72 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 m -67.59 -52.31 40.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.0 mp -81.69 35.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 51.1 t -81.83 -35.57 29.27 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -68.68 -35.73 77.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.18 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -73.9 -55.78 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -67.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.798 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.08 134.22 1.73 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.798 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' B' ' 9' ' ' LEU . 6.0 p -93.52 -24.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.843 -0.21 . . . . 0.0 111.485 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.71 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.8 m 68.94 142.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.556 0.693 . . . . 0.0 112.239 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.573 ' O ' HG21 ' B' ' 21' ' ' THR . 2.3 mpp? -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.789 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -51.34 -47.84 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.702 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.85 -35.57 77.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.437 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.807 HD22 HG22 ' B' ' 18' ' ' VAL . 71.1 mt -55.13 -32.11 61.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.751 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -52.32 -40.75 62.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.1 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.41 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.453 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 42.7 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.461 . . . . 0.0 110.638 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.486 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 54.4 p90 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.766 0.317 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.8 144.62 8.88 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.908 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.4 148.23 8.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.7 0.286 . . . . 0.0 110.236 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.83 121.62 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.994 0.426 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.545 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 56.0 mt -125.88 127.99 46.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 83.5 m -138.32 143.74 40.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 -130.19 20.0 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.274 -0.875 . . . . 0.0 114.807 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.494 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 24.6 mtm180 -52.28 -40.8 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.421 0.688 . . . . 0.0 111.606 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -60.65 -44.75 96.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.5 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.545 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 14.2 t80 -62.83 -48.72 77.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.611 ' O ' HD13 ' B' ' 19' ' ' ILE . 1.8 mp -60.11 -46.21 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.487 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.445 ' NH2' HG21 ' B' ' 19' ' ' ILE . 1.0 OUTLIER -63.8 -36.58 84.38 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.326 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.34 90.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.771 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.669 HG22 ' HG ' ' A' ' 20' ' ' LEU . 81.4 t -63.84 -42.08 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.611 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -64.95 -40.94 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.429 -1.26 . . . . 0.0 109.696 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.98 -36.28 74.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.838 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -64.43 -32.59 74.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.738 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 60.1 m -74.21 -11.07 60.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.546 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.29 27.18 73.15 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.557 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 54.8 30.33 52.28 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.9 m -95.18 27.95 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.626 0.251 . . . . 0.0 111.649 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 53.0 ttp85 -176.21 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.549 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.176 -1.392 . . . . 0.0 109.56 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.63 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 109.919 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -78.04 -91.38 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 178.557 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 38.9 tt0 -52.26 -55.67 19.77 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -57.74 -39.53 77.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.7 mp -95.56 17.58 14.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.7 m -72.31 -44.88 62.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.6 m -81.94 -38.23 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -48.89 54.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.854 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -109.19 -68.65 0.9 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.196 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.86 137.86 2.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.183 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 89.7 m -120.03 140.5 50.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.171 0.51 . . . . 0.0 111.386 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.486 ' HG ' ' HE2' ' B' ' 5' ' ' TYR . 46.7 t -110.37 161.33 15.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.025 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.414 ' H ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -60.72 -24.33 65.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.255 0.55 . . . . 0.0 110.108 178.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -62.33 -43.65 98.33 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.783 ' HB3' HD21 ' A' ' 6' ' ' LEU . 1.3 m-20 -75.38 -40.75 57.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 110.519 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.669 ' HG ' HG22 ' B' ' 18' ' ' VAL . 7.3 mp -57.86 -23.34 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -53.65 -40.04 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.54 88.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 -32.2 67.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.359 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.819 179.345 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 32.2 p90 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.51 150.36 9.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.64 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -134.82 142.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -71.11 108.55 4.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.717 0.294 . . . . 0.0 111.214 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 40.6 mt -133.73 131.12 39.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.67 164.32 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.999 0.428 . . . . 0.0 111.674 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.535 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 55.22 -137.98 43.84 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.444 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.97 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 3.1 mp0 -65.31 -42.04 93.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.349 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.528 ' O ' HG23 ' B' ' 18' ' ' VAL . 32.9 t80 -62.82 -46.15 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.489 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.535 HG12 ' O ' ' B' ' 11' ' ' GLY . 10.9 mm -59.17 -45.54 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.299 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' B' ' 16' ' ' ARG . 14.0 mmt180 -64.23 -38.57 91.51 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' B' ' 9' ' ' LEU . . . -64.47 -38.25 90.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.728 0.299 . . . . 0.0 110.947 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.89 HG22 ' HG ' ' A' ' 20' ' ' LEU . 86.8 t -66.54 -43.88 90.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.532 0.682 . . . . 0.0 109.38 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.802 HG21 ' HB2' ' B' ' 27' ' ' TRP . 10.6 mm -70.51 -34.48 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.715 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -46.43 87.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.545 HG21 ' O ' ' A' ' 17' ' ' MET . 34.8 m -68.92 -35.84 77.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.149 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.12 -26.48 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.604 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.11 37.61 6.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.776 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.71 53.65 36.71 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 3.7 p -58.24 -47.77 82.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -173.34 37.84 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.201 0.524 . . . . 0.0 111.248 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.802 ' HB2' HG21 ' B' ' 19' ' ' ILE . 7.0 m95 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.7 p-10 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 121.294 0.569 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 56.2 tp -77.46 -76.33 0.18 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.308 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 50.3 tt0 -69.96 -58.27 4.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.6 m -54.36 -48.86 70.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.908 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 5' ' ' ASP . 92.5 mt -94.2 25.32 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 29.7 t -73.94 -37.6 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.797 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.78 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.429 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -75.45 -58.98 2.95 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -106.03 -61.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.214 0.53 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.65 134.91 2.83 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.095 -1.05 . . . . 0.0 112.614 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.662 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 9.5 p -96.5 129.7 43.81 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.266 0.555 . . . . 0.0 110.749 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.521 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.4 m -69.93 133.45 47.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.269 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.545 ' O ' HG21 ' B' ' 21' ' ' THR . 4.4 ppp? -63.14 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.716 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -60.96 -38.95 87.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.307 0.575 . . . . 0.0 110.019 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.92 -35.41 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.833 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.89 ' HG ' HG22 ' B' ' 18' ' ' VAL . 4.3 mp -57.45 -26.56 61.38 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.278 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -53.74 -38.55 64.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 111.467 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.83 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.053 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.97 -38.79 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.597 ' HB2' HG12 ' B' ' 18' ' ' VAL . 44.7 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.331 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' SER . 32.6 p90 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 138.85 5.89 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 119.516 -1.326 . . . . 0.0 113.16 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -112.96 145.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' B' ' 8' ' ' ARG . 20.7 mmt85 -75.81 107.07 7.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.036 0.446 . . . . 0.0 111.143 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 15' ' ' CYS . 49.5 mt -120.57 130.76 54.34 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 m -129.71 133.37 47.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.0 112.419 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.41 -123.72 19.74 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.003 -0.999 . . . . 0.0 114.647 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.552 ' HE ' ' HA ' ' B' ' 12' ' ' ARG . 4.6 tpm_? -50.22 -41.57 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.434 0.694 . . . . 0.0 112.409 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.57 -38.69 92.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.377 0.423 . . . . 0.0 111.611 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.558 ' O ' HG23 ' B' ' 18' ' ' VAL . 22.1 t80 -59.18 -47.04 86.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.92 -45.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.934 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -62.04 -42.34 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.726 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -63.43 -35.83 81.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.793 HG22 ' HG ' ' A' ' 20' ' ' LEU . 93.3 t -65.93 -44.38 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' TRP . 6.2 mm -69.8 -39.65 78.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.424 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.37 -48.01 74.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.255 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.572 HG21 ' O ' ' A' ' 17' ' ' MET . 21.7 m -70.62 -34.8 72.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.267 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.94 -27.01 67.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.39 78.03 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.95 36.75 89.46 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.298 -0.451 . . . . 0.0 112.309 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -114.72 -32.99 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.851 0.358 . . . . 0.0 110.455 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.404 ' O ' HG23 ' B' ' 19' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.257 1.457 0 CA-C-O 117.047 -1.454 . . . . 0.0 107.963 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.569 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 6.5 p-10 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 121.02 0.438 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 19' ' ' ASP . 48.4 tp -70.3 -66.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.747 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -76.82 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 112.138 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -58.34 -52.75 64.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.118 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -94.98 34.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -69.86 -37.46 76.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.499 0.666 . . . . 0.0 109.686 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.16 -31.29 65.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -84.39 -50.06 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -106.79 -63.46 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.17 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.18 143.05 3.74 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.679 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 29.2 p -127.58 143.96 51.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.555 ' O ' HD13 ' A' ' 20' ' ' LEU . 12.1 t -82.99 141.61 31.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.572 ' O ' HG21 ' B' ' 21' ' ' THR . 62.6 mtm -65.73 -32.92 74.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -65.85 -40.89 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 109.763 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.609 ' HB3' HD21 ' A' ' 6' ' ' LEU . 1.1 m-20 -67.04 -36.82 82.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.627 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.793 ' HG ' HG22 ' B' ' 18' ' ' VAL . 4.8 mp -62.02 -28.43 69.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.405 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -56.39 -40.43 74.6 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.921 0.391 . . . . 0.0 110.527 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.15 -34.23 74.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.993 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.56 -35.42 80.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.426 179.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' SER . 26.0 t80 . . . . . 0 N--CA 1.444 -0.745 0 CA-C-O 121.086 0.47 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.47 121.74 1.01 Allowed Glycine 0 N--CA 1.435 -1.401 0 C-N-CA 120.244 -0.979 . . . . 0.0 112.968 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.402 ' N ' ' H ' ' A' ' 15' ' ' CYS . 5.4 p -108.68 142.39 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 13' ' ' ASP . 56.2 mtt85 -65.94 120.93 13.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.162 0.505 . . . . 0.0 111.314 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.842 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 39.3 mt -127.91 124.26 36.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.855 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 58.2 m -136.4 144.41 44.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.178 0.513 . . . . 0.0 112.269 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.22 -126.9 37.74 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.938 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.491 ' HD2' ' O ' ' B' ' 12' ' ' ARG . 6.8 tmm_? -59.35 -39.9 84.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.976 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.19 -41.76 99.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.93 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.842 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.6 t80 -58.17 -53.7 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.285 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.53 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.586 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.69 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 3.4 tpm_? -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -61.39 -36.35 80.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 24' ' ' CYS . 84.2 t -62.52 -41.07 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.661 HG13 HH21 ' B' ' 16' ' ' ARG . 11.4 mm -70.25 -37.93 72.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.127 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.2 m-85 -54.79 -39.68 68.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.481 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 94.2 m -63.64 -41.99 98.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.65 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . 0.432 ' HB3' ' OG ' ' B' ' 25' ' ' SER . 2.6 m -74.58 -32.06 62.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.447 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.32 37.37 11.06 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.067 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.84 48.47 83.64 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.491 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' B' ' 22' ' ' CYS . 1.1 m -74.21 0.86 12.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.408 ' HG3' ' HD1' ' B' ' 27' ' ' TRP . 2.9 ptt-85 -170.09 -36.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.408 ' HD1' ' HG3' ' B' ' 26' ' ' ARG . 6.6 p-90 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 117.085 -1.436 . . . . 0.0 108.764 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.747 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 5.8 t70 . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 19' ' ' ASP . 12.9 tp -63.42 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -91.98 -46.98 7.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.446 0.641 . . . . 0.0 110.906 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.9 m -85.49 -69.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.747 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mm? -52.03 -31.76 31.21 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 66.1 m -59.72 -34.47 72.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.89 -36.03 25.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.482 0.658 . . . . 0.0 109.504 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -64.91 -43.72 91.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.709 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.695 ' HA ' ' CZ ' ' B' ' 8' ' ' ARG . 38.8 t70 -137.83 -47.54 0.55 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 10' ' ' CYS . . . -179.09 156.82 19.54 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 118.666 -1.73 . . . . 0.0 114.484 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -138.86 141.69 38.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.368 -0.416 . . . . 0.0 111.169 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.2 t -98.51 147.63 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.501 ' HA ' HD12 ' A' ' 20' ' ' LEU . 69.2 mtm -63.09 -36.86 84.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -61.47 -35.66 78.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.65 ' HB3' HD13 ' A' ' 6' ' ' LEU . 1.8 m-20 -69.76 -43.26 72.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.061 0.458 . . . . 0.0 109.853 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.752 HD22 HG22 ' B' ' 18' ' ' VAL . 86.8 mt -54.07 -32.31 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.818 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -53.14 -33.38 52.17 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.686 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.61 92.76 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 6' ' ' LEU . 93.3 mt -69.87 -39.09 76.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.798 ' HB2' HG12 ' B' ' 18' ' ' VAL . 40.3 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 16' ' ' SER . 43.4 p90 . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.78 155.68 26.81 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.482 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.54 150.19 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -68.17 120.53 14.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.583 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 33.8 mt -134.53 130.85 37.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -141.5 140.67 33.56 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.38 -123.85 8.76 Favored Glycine 0 C--N 1.333 0.41 0 CA-C-N 114.746 -1.115 . . . . 0.0 114.874 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -52.09 -43.91 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.825 -0.688 . . . . 0.0 112.385 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -41.35 91.23 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.244 0.545 . . . . 0.0 110.142 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.505 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.3 t80 -59.35 -49.9 76.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.862 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.0 -39.78 86.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.053 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -65.07 -38.66 91.52 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.678 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.62 77.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.522 HG12 ' HB2' ' A' ' 24' ' ' CYS . 92.2 t -64.12 -44.45 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 109.377 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.556 HD12 ' HB2' ' B' ' 25' ' ' SER . 13.8 mm -69.95 -40.64 78.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.81 88.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.353 0.597 . . . . 0.0 109.567 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 17' ' ' MET . 24.6 m -71.07 -33.14 69.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.425 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.04 -39.15 88.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.1 -47.33 1.03 Allowed Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.141 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.13 55.44 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.044 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.556 ' HB2' HD12 ' B' ' 19' ' ' ILE . 1.8 m -64.52 152.93 40.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -99.01 51.39 0.96 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.449 ' NE1' ' HB3' ' B' ' 25' ' ' SER . 34.5 p-90 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 117.742 -1.123 . . . . 0.0 109.085 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.732 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.1 mm? -68.64 -32.39 72.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.264 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -86.3 -50.82 6.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.123 0.487 . . . . 0.0 111.447 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 m -90.6 -61.39 1.69 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD12 ' HB ' ' A' ' 12' ' ' THR . 15.6 tp -55.54 -32.52 63.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.732 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 74.1 m -59.49 -34.35 72.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.869 0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -82.37 -32.34 29.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.069 0.461 . . . . 0.0 110.197 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.46 ' HB ' HD12 ' A' ' 9' ' ' LEU . 5.2 m -71.36 -48.87 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.659 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.24 -66.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.52 153.49 6.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.0 m -137.67 152.43 49.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.484 ' HB2' ' CE2' ' B' ' 5' ' ' TYR . 54.1 p -85.54 163.44 18.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.516 ' HB2' ' OG1' ' B' ' 21' ' ' THR . 0.0 OUTLIER -66.53 -22.92 66.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 m -65.85 -41.81 91.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.985 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.72 ' HB3' HD11 ' A' ' 6' ' ' LEU . 2.1 m-20 -61.84 -44.72 96.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.612 0.72 . . . . 0.0 109.948 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG22 ' B' ' 18' ' ' VAL . 11.3 mp -67.05 -23.09 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.434 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -56.07 -39.21 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.713 0.292 . . . . 0.0 111.602 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -28.21 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 6' ' ' LEU . 98.9 mt -69.28 -38.89 78.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB2' HG12 ' B' ' 18' ' ' VAL . 23.4 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 27.2 p90 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.22 135.61 4.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.195 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.14 147.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -79.13 116.56 19.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 57.1 mt -129.54 135.11 48.19 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 76.6 m -142.35 156.21 45.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.498 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.431 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 51.65 -139.72 26.76 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.339 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.623 ' HA ' HG12 ' B' ' 15' ' ' ILE . 0.0 OUTLIER -70.34 -18.39 63.08 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -179.695 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.71 -43.24 94.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 31.5 t80 -61.19 -47.66 85.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.39 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.623 HG12 ' HA ' ' B' ' 12' ' ' ARG . 8.6 mm -58.13 -43.32 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.562 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.8 mmp_? -66.24 -41.53 89.86 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.54 77.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.855 0.36 . . . . 0.0 111.061 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 20' ' ' LEU . 91.3 t -66.21 -44.37 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.497 0.665 . . . . 0.0 109.341 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.562 HG13 ' NH2' ' B' ' 16' ' ' ARG . 31.4 mm -70.2 -34.98 61.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.21 -41.8 89.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.433 HG21 ' O ' ' A' ' 17' ' ' MET . 90.8 m -64.31 -39.4 93.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.851 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' B' ' 25' ' ' SER . 23.3 m -77.29 -6.94 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.436 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.72 42.18 95.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.904 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 54.73 11.92 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.79 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' B' ' 22' ' ' CYS . 3.2 p -57.24 -37.43 72.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -161.28 -40.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.675 -178.112 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 2.2 t70 . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.871 0.367 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 15' ' ' CYS . 45.0 tp -58.8 -41.81 87.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.204 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.436 ' HA ' ' CZ ' ' B' ' 14' ' ' PHE . 39.5 tt0 -90.46 -62.64 1.41 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.605 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -65.41 -57.91 7.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 5' ' ' ASP . 15.2 tp -69.78 -4.37 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.7 t -63.59 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.041 -0.412 . . . . 0.0 110.541 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.69 -37.65 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.893 0.377 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.463 ' HB ' HD12 ' A' ' 9' ' ' LEU . 8.0 m -82.15 -58.75 2.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.41 -51.89 4.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.78 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.48 139.16 5.25 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.695 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HB2' HD12 ' A' ' 6' ' ' LEU . 26.9 p -115.6 140.78 48.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.509 . . . . 0.0 110.782 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.41 143.32 32.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.619 -179.192 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.433 ' O ' HG21 ' B' ' 21' ' ' THR . 4.6 mpp? -58.86 -39.91 82.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 110.43 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 m -59.25 -41.52 88.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.81 -37.13 86.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.612 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' B' ' 18' ' ' VAL . 69.2 mt -52.33 -32.21 36.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.471 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -52.68 -28.28 21.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.06 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.82 92.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' A' ' 6' ' ' LEU . 78.7 mt -74.79 -41.94 59.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 111.648 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 p90 . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.37 145.65 8.98 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.93 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.32 144.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.661 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 55.3 mtt85 -77.11 124.55 27.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.496 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.694 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 23.2 mt -131.97 128.63 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.221 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 m -140.95 148.83 41.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.196 0.522 . . . . 0.0 111.827 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.18 -133.67 52.59 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.974 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -64.73 -29.18 70.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.352 . . . . 0.0 111.783 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.07 -41.69 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.375 0.607 . . . . 0.0 109.544 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.694 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.1 t80 -61.33 -49.41 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.015 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 46.1 mm -56.92 -44.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.759 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 16' ' ' ARG . 27.8 ttm105 -63.23 -43.88 96.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.135 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.85 78.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 14' ' ' PHE . 81.6 t -65.38 -44.09 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.469 HG23 ' O ' ' B' ' 27' ' ' TRP . 5.7 mm -68.84 -39.41 79.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.053 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.78 -47.99 76.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.34 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 17' ' ' MET . 34.8 m -67.91 -36.36 80.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.057 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -26.45 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.65 25.56 75.51 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.37 35.8 86.46 Favored Glycine 0 CA--C 1.521 0.453 0 CA-C-N 115.322 -0.439 . . . . 0.0 112.406 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -66.77 -40.59 88.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.069 0.462 . . . . 0.0 111.676 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.576 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 4.4 mmp_? -115.97 -37.96 3.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.469 ' O ' HG23 ' B' ' 19' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.257 1.456 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.835 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 1.7 t70 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.711 ' HB3' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.54 -38.46 91.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.403 0.62 . . . . 0.0 110.419 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -86.46 -46.4 10.24 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.457 0.646 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -82.15 -66.7 0.86 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 3.4 mm? -51.93 -38.85 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.2 m -59.66 -34.91 73.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.0 t -85.13 -39.57 17.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.938 0.399 . . . . 0.0 110.329 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -66.71 -45.06 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.661 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 35.5 t0 -132.98 -46.8 0.85 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.879 0.371 . . . . 0.0 111.45 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.19 167.9 11.09 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.32 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -157.41 158.85 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.2 t -73.42 155.9 38.83 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.567 ' O ' HG21 ' B' ' 21' ' ' THR . 0.1 OUTLIER -59.88 -33.11 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -54.06 -38.66 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.788 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.06 -40.16 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.638 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.2 mp -58.71 -36.72 74.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.734 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -54.81 -33.01 61.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 6' ' ' LEU . 74.3 mt -71.18 -35.83 71.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.432 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.619 -179.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' SER . 49.5 p90 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.08 132.59 2.71 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.237 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.83 145.0 10.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -75.74 113.74 13.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.048 0.451 . . . . 0.0 110.477 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.852 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 51.5 mt -126.54 137.28 53.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 108.963 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -133.09 136.27 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.1 -121.6 6.32 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.088 -0.96 . . . . 0.0 114.915 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -55.24 -44.29 75.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.801 -0.7 . . . . 0.0 112.307 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.85 -38.89 92.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.897 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.852 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.7 t80 -60.27 -51.02 71.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.561 177.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.528 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.7 mt -63.26 -40.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.607 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.3 mmp_? -62.8 -38.66 91.57 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.208 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.49 -37.95 88.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.32 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.809 HG22 HD22 ' A' ' 20' ' ' LEU . 94.4 t -62.81 -40.44 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.607 HG13 ' NH2' ' B' ' 16' ' ' ARG . 15.5 mm -69.35 -35.49 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.119 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -43.22 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -72.93 -37.2 67.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.416 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.19 -37.07 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.169 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.44 -5.63 35.62 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.351 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 61.94 36.77 93.32 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.421 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.04 30.24 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 63.8 ttp180 -173.82 -35.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.156 0.503 . . . . 0.0 110.467 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.439 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 116.983 -1.484 . . . . 0.0 108.722 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.814 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 32.8 p-10 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.19 0.519 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 15' ' ' CYS . 36.2 tp -66.92 -58.41 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.701 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' HG3' ' CZ ' ' B' ' 14' ' ' PHE . 7.5 tt0 -89.58 -59.68 2.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.368 0.604 . . . . 0.0 111.801 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.7 m -57.97 -54.56 45.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.814 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 96.9 mt -93.52 22.6 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -177.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 42.2 t -69.3 -30.71 68.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.43 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -83.86 31.21 0.49 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.499 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -159.71 -57.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.323 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -88.96 -36.91 15.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.575 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.26 128.72 6.18 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.951 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.613 ' HB2' HD12 ' A' ' 6' ' ' LEU . 9.7 p -100.65 145.81 27.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.8 t -82.53 146.93 28.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.046 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.48 -40.01 93.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 p -61.25 -42.38 98.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.465 0.65 . . . . 0.0 111.018 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 16' ' ' SER . 1.0 OUTLIER -67.11 -32.59 73.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.556 -179.116 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.809 HD22 HG22 ' B' ' 18' ' ' VAL . 80.3 mt -56.81 -32.66 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.709 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.49 -40.63 62.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.442 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.43 80.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.652 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' A' ' 6' ' ' LEU . 85.6 mt -63.46 -35.88 81.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.497 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 110.429 179.626 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' TYR . . . . . 0.602 ' HE1' ' H ' ' A' ' 17' ' ' MET . 27.7 p90 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.722 0.296 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.34 139.61 6.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.693 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -117.27 136.51 54.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.912 0.387 . . . . 0.0 110.222 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.83 125.53 26.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.411 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.68 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 22.2 mt -134.39 137.7 44.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.78 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -140.77 139.08 34.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.823 0.345 . . . . 0.0 111.359 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.24 -126.71 34.51 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.478 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.883 ' H ' ' HD3' ' B' ' 12' ' ' ARG . 0.2 OUTLIER -55.88 -40.5 73.04 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.161 0.585 . . . . 0.0 111.141 -179.007 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -59.19 -42.43 90.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.595 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.68 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.2 t80 -61.1 -49.99 75.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.841 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.531 HG23 ' CE3' ' B' ' 27' ' ' TRP . 1.7 mp -59.4 -44.78 93.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.801 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -65.32 -37.96 88.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.41 -37.68 87.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 20' ' ' LEU . 87.9 t -65.82 -41.91 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.527 HG13 ' OXT' ' B' ' 27' ' ' TRP . 19.4 mm -69.47 -36.08 69.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.062 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -39.72 73.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.0 m -63.34 -38.39 90.98 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.342 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 m -83.64 -5.22 59.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.408 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.61 -42.53 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.316 -0.469 . . . . 0.0 112.102 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.18 147.62 8.09 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.518 ' HB3' HD12 ' B' ' 19' ' ' ILE . 9.1 t -157.49 -156.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.102 0.451 . . . . 0.0 110.459 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.563 ' O ' ' HD2' ' B' ' 26' ' ' ARG . 5.6 tmm_? -85.12 -37.79 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' TRP . . . . . 0.531 ' CE3' HG23 ' B' ' 15' ' ' ILE . 2.1 p-90 . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.341 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 122.769 1.271 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp -179.87 -78.34 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.971 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.408 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 8.0 tt0 -65.05 -48.87 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.298 0.57 . . . . 0.0 110.79 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.6 m -57.9 -43.58 86.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.003 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 13' ' ' ASP . 3.9 pp -93.35 13.89 20.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 0.5 OUTLIER -65.25 -44.69 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -88.16 38.38 0.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.948 0.404 . . . . 0.0 110.662 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -155.36 -54.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.564 ' HB3' HD13 ' A' ' 9' ' ' LEU . 57.9 t0 -104.44 -71.9 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.61 142.17 3.43 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.632 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.595 ' HB3' HD21 ' A' ' 20' ' ' LEU . 68.0 m -89.82 135.81 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.567 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.611 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.8 m -85.98 137.46 32.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.782 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.602 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 56.8 ttp -56.9 -44.4 82.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.271 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -60.39 -42.1 95.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.221 0.534 . . . . 0.0 111.188 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.06 -35.08 79.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.78 HD22 HG22 ' B' ' 18' ' ' VAL . 84.8 mt -59.49 -30.64 68.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 -36.83 67.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.12 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.338 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.6 -37.4 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.703 ' HB2' HG12 ' B' ' 18' ' ' VAL . 32.6 t . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.64 -45.38 13.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.189 0.519 . . . . 0.0 110.13 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.437 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -84.31 144.81 44.25 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.948 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.51 -43.3 59.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.171 2.581 . . . . 0.0 112.992 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -71.52 146.54 48.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.305 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.43 143.2 10.22 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.74 142.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.769 0.318 . . . . 0.0 110.73 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -72.91 113.76 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.093 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.846 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 69.2 mt -127.85 132.24 49.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 39.1 m -142.26 151.7 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.75 0.31 . . . . 0.0 111.017 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.41 -133.06 38.84 Favored Glycine 0 CA--C 1.519 0.284 0 N-CA-C 114.708 0.643 . . . . 0.0 114.708 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.503 ' HD2' ' OE1' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -67.23 -30.14 69.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.203 -0.499 . . . . 0.0 111.213 -179.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.503 ' OE1' ' HD2' ' B' ' 12' ' ' ARG . 52.5 mp0 -63.8 -40.95 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.846 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 7.0 t80 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.045 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.7 -39.89 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' B' ' 16' ' ' ARG . 14.6 mmt180 -63.89 -39.11 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.259 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.441 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -64.43 -34.9 79.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.801 0.334 . . . . 0.0 110.687 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.849 HG22 HD22 ' A' ' 20' ' ' LEU . 60.7 t -65.56 -44.93 93.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 CA-C-O 121.609 0.718 . . . . 0.0 109.09 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' B' ' 27' ' ' TRP . 11.4 mm -69.88 -34.0 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.348 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -59.38 -46.64 88.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.507 HG21 ' O ' ' A' ' 17' ' ' MET . 33.3 m -67.86 -35.66 78.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.884 178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 t -64.34 -25.62 68.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.666 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.5 32.66 8.53 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.574 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.65 55.78 25.15 Favored Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.67 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 4.5 p -59.57 -50.43 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -173.86 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 111.595 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.777 ' HB2' HG21 ' B' ' 19' ' ' ILE . 32.2 m95 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.075 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.729 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 120.505 0.193 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 5.0 p-10 -67.3 -31.67 72.13 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.243 0.544 . . . . 0.0 110.466 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.574 HD13 ' HB3' ' A' ' 19' ' ' ASP . 24.3 tp -73.11 -52.13 15.39 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.735 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.475 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 7.8 tt0 -90.08 -62.77 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.426 0.631 . . . . 0.0 112.078 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 89.6 m -56.06 -57.26 12.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.914 -1.039 . . . . 0.0 113.421 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HG ' ' HB3' ' A' ' 13' ' ' ASP . 26.2 tp -69.34 -14.72 63.08 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 18.8 t -64.28 -38.5 91.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 111.45 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 t -74.84 -32.05 61.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -83.18 -57.35 3.31 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.537 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -103.12 -59.8 1.65 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.347 -179.097 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.91 142.19 3.82 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.192 -1.004 . . . . 0.0 112.688 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.689 ' SG ' HD21 ' A' ' 20' ' ' LEU . 28.6 p -117.61 145.12 44.54 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.15 0.5 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.437 ' CB ' ' HB3' ' B' ' 3' ' ' ALA . 2.0 m -78.18 142.14 38.18 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.507 ' O ' HG21 ' B' ' 21' ' ' THR . 66.1 mtm -59.04 -39.32 81.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.83 0.348 . . . . 0.0 110.196 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -57.77 -41.02 81.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.46 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.574 ' HB3' HD13 ' A' ' 6' ' ' LEU . 10.2 m-20 -63.33 -39.32 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.849 HD22 HG22 ' B' ' 18' ' ' VAL . 90.2 mt -54.73 -31.32 58.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.561 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -52.11 -33.21 38.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.864 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.71 85.03 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HG ' HD21 ' A' ' 6' ' ' LEU . 84.5 mt -68.99 -40.2 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 111.577 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.97 -14.46 56.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.526 -0.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 4' ' ' PRO . 36.3 ttm180 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.59 -50.57 3.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.213 0.53 . . . . 0.0 109.943 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -91.71 151.92 42.77 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.413 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.476 ' O ' ' HD3' ' B' ' 1' ' ' ARG . 7.9 Cg_exo -35.67 -62.33 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.978 3.118 . . . . 0.0 115.319 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.546 ' HE1' ' HA3' ' A' ' 14' ' ' GLY . 7.5 t80 -175.45 149.95 1.06 Allowed 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.704 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -130.93 -58.58 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.229 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.2 p -173.94 157.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 117.008 0.404 . . . . 0.0 111.483 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.683 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 54.5 mtt85 -83.54 130.57 35.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -136.74 136.87 39.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 64.5 m -139.17 168.37 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.098 0.475 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.35 -146.57 15.34 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.323 -0.853 . . . . 0.0 114.125 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.469 ' NE ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -71.07 -12.68 61.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.266 . . . . 0.0 111.102 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.401 ' CD ' ' HE ' ' B' ' 12' ' ' ARG . 6.8 mp0 -68.28 -46.05 71.4 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 7' ' ' GLN . 34.0 t80 -61.62 -48.16 82.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.44 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.503 ' O ' HD13 ' B' ' 19' ' ' ILE . 1.8 mp -58.35 -47.21 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.837 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.452 ' NH2' HG12 ' B' ' 19' ' ' ILE . 1.6 tpm_? -63.33 -39.46 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.486 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -62.11 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.764 179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.618 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 62.1 t -63.15 -42.98 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.503 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -65.13 -45.9 92.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 114.381 -1.282 . . . . 0.0 109.575 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 2.4 m-85 -55.94 -51.63 67.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.132 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 17' ' ' MET . 24.6 m -65.14 -31.76 73.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.015 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 t -69.83 -41.32 75.12 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.53 -37.36 0.35 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.68 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.22 56.72 6.69 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.815 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 23.9 m -150.31 -47.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 0.0 110.604 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -70.83 -24.89 62.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.289 0.566 . . . . 0.0 109.726 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.462 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.221 0 CA-C-N 114.726 -1.125 . . . . 0.0 108.017 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.76 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.224 -0.264 0 CA-C-O 120.767 0.318 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 1.4 t70 -52.86 -27.35 18.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.197 0.522 . . . . 0.0 111.284 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.468 ' HB3' HD11 ' A' ' 23' ' ' LEU . 2.2 mm? -91.27 -92.09 0.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.442 178.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.56 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 65.2 tp60 -42.97 -51.12 5.75 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.76 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 53.8 m -69.8 -60.43 2.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 27.4 tp -61.31 -41.99 97.93 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.589 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 79.7 m -60.14 -25.92 65.87 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.4 t -86.88 -44.96 11.28 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 m -68.12 -55.27 13.05 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.683 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 37.5 t70 -114.22 -35.36 5.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.293 0.568 . . . . 0.0 110.945 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.589 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.39 -166.64 12.37 Favored Glycine 0 N--CA 1.44 -1.06 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.037 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' HB2' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p -173.67 174.97 3.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.584 ' CB ' ' HB3' ' B' ' 3' ' ' ALA . 30.6 t -80.41 149.16 30.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.551 ' O ' HG21 ' B' ' 21' ' ' THR . 3.6 mpp? -58.11 -35.8 71.98 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 m -61.44 -31.18 71.12 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.517 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' B' ' 1' ' ' ARG . 63.3 m-20 -59.85 -35.27 74.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.353 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.618 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.4 mp -61.66 -31.7 71.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.433 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.4 m -52.81 -31.94 41.48 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.07 83.41 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 6' ' ' LEU . 54.5 mt -68.31 -30.36 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.708 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 37.2 t -64.71 -27.95 69.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.939 0.399 . . . . 0.0 111.002 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.505 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 14' ' ' GLY . 20.5 mmm180 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 119.924 -0.084 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.34 50.55 1.1 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.997 0.427 . . . . 0.0 111.532 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.94 145.13 1.9 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.85 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.41 -43.24 60.21 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.823 2.348 . . . . 0.0 111.659 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.631 ' HE1' ' H ' ' A' ' 17' ' ' MET . 53.9 p90 -79.02 139.23 38.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.632 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.76 141.33 7.3 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.898 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 p -130.6 138.35 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.231 0.539 . . . . 0.0 110.58 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.54 ' HD2' ' O ' ' A' ' 11' ' ' CYS . 20.3 mmt85 -73.53 120.16 18.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.943 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.697 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 35.0 mt -123.94 136.28 54.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.999 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 77.4 m -138.67 136.79 36.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.025 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.05 -120.19 10.43 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 114.92 0.728 . . . . 0.0 114.92 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.56 ' HA ' ' HE ' ' B' ' 12' ' ' ARG . 4.2 tpm_? -57.48 -41.26 80.31 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.121 0.568 . . . . 0.0 112.278 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.83 -42.64 98.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.027 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.637 ' CE2' ' HG3' ' A' ' 7' ' ' GLN . 42.4 t80 -58.44 -47.87 82.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.687 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.613 ' O ' HD13 ' B' ' 19' ' ' ILE . 50.5 mm -60.26 -45.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.988 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -63.16 -38.49 91.36 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.352 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.479 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.36 -34.38 78.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.787 0.327 . . . . 0.0 111.015 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.61 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.8 t -65.14 -42.9 95.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.613 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.2 mp -64.2 -43.0 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.047 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.93 -36.21 67.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.351 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -61.11 -35.74 77.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.346 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.9 m -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.645 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.53 30.72 78.65 Favored Glycine 0 C--N 1.33 0.227 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.0 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.679 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.83 28.19 52.04 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 121.446 -0.407 . . . . 0.0 112.892 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 42.1 m -92.11 28.32 1.91 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 111.267 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -177.08 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.42 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.679 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.071 -1.443 . . . . 0.0 108.426 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.729 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 120.695 0.283 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.642 ' HA ' HD13 ' A' ' 9' ' ' LEU . 13.9 p-10 -59.62 -27.25 66.16 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.991 0.425 . . . . 0.0 110.845 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.7 tp -81.69 -62.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.707 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.637 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 45.4 tt0 -76.55 -57.24 3.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.268 0.556 . . . . 0.0 112.089 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 88.8 m -56.9 -47.28 80.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.234 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.642 HD13 ' HA ' ' A' ' 5' ' ' ASP . 9.2 mp -93.22 26.74 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.697 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 13.6 t -68.86 -38.58 79.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.27 0.557 . . . . 0.0 109.812 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.54 ' O ' ' HD2' ' B' ' 8' ' ' ARG . 66.7 m -73.47 -22.18 60.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.444 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -87.23 -52.39 5.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -92.77 -64.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.491 . . . . 0.0 111.182 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.602 ' O ' ' HG2' ' B' ' 1' ' ' ARG . . . 129.74 113.92 1.67 Allowed Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' B' ' 9' ' ' LEU . 87.7 m -67.71 147.41 52.69 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.511 ' OG ' ' HB2' ' B' ' 1' ' ' ARG . 16.8 m -120.3 147.19 45.32 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.953 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.631 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 59.5 ttp -53.46 -38.49 63.63 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.273 0.358 . . . . 0.0 111.514 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.65 -48.59 80.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.876 0.37 . . . . 0.0 111.596 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.423 ' CG ' ' HB3' ' B' ' 1' ' ' ARG . 1.3 m-20 -64.99 -42.38 94.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.458 0.647 . . . . 0.0 110.28 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.61 ' HG ' HG22 ' B' ' 18' ' ' VAL . 7.2 mp -64.68 -24.85 67.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.053 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -56.22 -38.44 71.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.411 . . . . 0.0 110.455 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.14 71.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.993 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.81 -42.64 70.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.7 t -72.6 -26.25 61.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.018 0.437 . . . . 0.0 109.913 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.431 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.49 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . 2.0 ptp85 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.67 130.9 48.5 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.346 0.404 . . . . 0.0 110.37 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' B' ' 4' ' ' PRO . . . -160.33 164.34 19.87 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.659 -178.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' B' ' 3' ' ' ALA . 93.6 Cg_exo -46.99 -38.71 24.3 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 123.116 2.544 . . . . 0.0 112.747 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 9.1 p90 -139.48 139.54 37.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.312 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.33 150.39 19.54 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.639 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.12 144.93 18.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.756 0.312 . . . . 0.0 110.29 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 68.0 mtt85 -80.9 120.33 24.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.825 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.51 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 49.2 mt -125.79 131.77 52.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.522 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' B' ' 13' ' ' GLU . 1.5 m -152.13 163.94 38.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.755 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.18 -137.7 49.65 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.159 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.834 ' H ' ' HD3' ' B' ' 12' ' ' ARG . 0.1 OUTLIER -64.82 -31.07 72.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.758 0.313 . . . . 0.0 110.286 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' B' ' 10' ' ' CYS . 9.3 mp0 -62.04 -45.16 94.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.244 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.542 ' O ' HG23 ' B' ' 18' ' ' VAL . 43.2 t80 -60.54 -53.79 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.144 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.535 ' O ' HG12 ' B' ' 19' ' ' ILE . 1.9 mp -59.11 -43.08 88.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.763 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.821 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 2.0 tpm_? -62.13 -46.61 88.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.028 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.33 88.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.317 0.386 . . . . 0.0 111.676 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.546 HG22 HD22 ' A' ' 20' ' ' LEU . 96.1 t -65.34 -42.88 94.77 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.752 HG21 ' HB2' ' B' ' 27' ' ' TRP . 6.6 mm -70.61 -34.96 59.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.394 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.96 -45.53 90.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.502 HG21 ' O ' ' A' ' 17' ' ' MET . 38.9 m -68.71 -35.63 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.009 178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.1 t -65.53 -20.23 66.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.46 29.58 26.89 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.233 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.04 53.92 38.95 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.78 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.8 p -53.67 -54.37 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -171.35 53.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.314 0.578 . . . . 0.0 111.015 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.752 ' HB2' HG21 ' B' ' 19' ' ' ILE . 37.4 m95 . . . . . 0 C--O 1.253 1.254 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.105 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.676 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 120.452 0.167 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -62.89 -34.04 76.58 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.978 0.418 . . . . 0.0 110.991 179.405 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 26.5 tp -66.42 -58.39 5.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -90.43 -61.85 1.59 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.216 0.532 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.676 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 92.7 m -54.81 -52.84 61.44 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.625 ' CB ' ' HA ' ' A' ' 5' ' ' ASP . 22.2 tp -79.02 -6.95 57.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -177.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 13.2 t -63.83 -36.68 84.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -43.25 66.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.133 0.492 . . . . 0.0 110.96 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.504 ' HB ' HD12 ' A' ' 9' ' ' LEU . 5.9 m -73.96 -47.51 36.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.397 -178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.542 ' HB3' ' HG ' ' A' ' 9' ' ' LEU . 16.9 t70 -114.1 -65.93 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.638 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.84 153.28 6.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.918 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.5 p -133.7 143.46 48.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.091 0.472 . . . . 0.0 110.091 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' B' ' 5' ' ' TYR . 17.8 m -80.94 148.07 29.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.511 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.502 ' O ' HG21 ' B' ' 21' ' ' THR . 4.7 ppp? -61.94 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.206 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.6 m -59.22 -36.86 76.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.039 0.447 . . . . 0.0 110.513 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' HB3' HD13 ' A' ' 6' ' ' LEU . 7.0 m-20 -63.63 -38.94 93.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.502 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.546 HD22 HG22 ' B' ' 18' ' ' VAL . 73.4 mt -55.65 -31.58 62.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.739 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -50.88 -35.85 34.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.024 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.09 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.3 mt -70.6 -39.02 74.06 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HB2' HG12 ' B' ' 18' ' ' VAL . 37.7 t -80.22 -17.19 52.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.94 0.4 . . . . 0.0 110.396 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.436 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.589 0.233 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.82 140.76 58.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.033 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.14 158.14 31.97 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.784 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -49.7 -39.92 47.13 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 123.054 2.502 . . . . 0.0 112.276 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -146.1 141.44 27.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.26 159.25 31.0 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.094 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.13 149.42 18.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 10' ' ' CYS . 22.7 mmt85 -70.69 116.85 11.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.448 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.765 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 45.7 mt -132.7 131.67 41.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 68.3 m -141.05 144.01 34.71 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.911 0.386 . . . . 0.0 111.682 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.542 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 57.23 -138.12 48.33 Favored Glycine 0 C--N 1.331 0.302 0 CA-C-N 116.018 -0.537 . . . . 0.0 113.723 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.576 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 25.9 tpt180 -61.3 -26.74 67.99 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 122.137 0.175 . . . . 0.0 111.194 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -64.55 -42.61 95.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.765 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 43.6 t80 -63.86 -43.02 97.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.633 HG23 ' CZ3' ' B' ' 27' ' ' TRP . 46.5 mm -56.85 -48.11 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.409 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 39.0 mtm105 -61.36 -35.4 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.074 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.75 83.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.826 0.346 . . . . 0.0 110.283 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.683 HG22 ' HG ' ' A' ' 20' ' ' LEU . 65.0 t -65.48 -43.98 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.519 HD11 ' CE2' ' B' ' 27' ' ' TRP . 8.8 mm -68.4 -34.86 68.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.952 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -39.9 83.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -62.85 -41.68 99.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.735 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 10.7 m -81.99 -23.15 36.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.201 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.56 37.32 40.89 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.76 139.9 8.35 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -152.92 -87.0 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.637 0.719 . . . . 0.0 112.403 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.7 mtm-85 -142.4 18.93 2.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.394 0.14 . . . . 0.0 110.706 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.731 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 2.3 p-90 . . . . . 0 C--O 1.254 1.338 0 CA-C-O 118.841 -0.6 . . . . 0.0 109.576 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.728 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.222 -0.347 0 CA-C-O 120.777 0.322 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.887 ' HA ' HD13 ' A' ' 9' ' ' LEU . 6.8 t70 -58.52 -36.11 73.32 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.484 0.659 . . . . 0.0 109.956 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 1.6 mm? -68.09 -58.07 5.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -90.9 -59.41 2.18 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 53.5 m -48.5 -53.1 19.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.565 -178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.887 HD13 ' HA ' ' A' ' 5' ' ' ASP . 11.0 mp -71.82 -29.23 64.2 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 28.4 t -59.14 -40.32 85.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.0 0.429 . . . . 0.0 110.052 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 88.9 m -68.02 -25.65 65.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.165 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 m -82.42 -49.03 10.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.374 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.29 -70.34 0.79 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.94 138.08 2.33 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.566 ' SG ' HD12 ' B' ' 9' ' ' LEU . 7.9 p -107.94 144.1 35.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.43 . . . . 0.0 111.841 -178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.568 ' O ' HD13 ' A' ' 20' ' ' LEU . 30.8 t -83.64 145.41 28.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.951 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttp -56.24 -36.35 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.282 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 p -61.7 -40.02 93.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.309 0.576 . . . . 0.0 111.276 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.69 -40.21 94.99 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.243 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.683 ' HG ' HG22 ' B' ' 18' ' ' VAL . 8.3 mp -58.06 -33.78 69.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.926 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -53.12 -33.62 53.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.96 98.63 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.62 -36.28 76.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.731 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 48.7 t -66.27 -34.33 77.76 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.458 -0.337 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.435 ' HB2' ' CG ' ' A' ' 13' ' ' ASP . 9.3 mtp85 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.69 45.44 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . . . -86.8 135.7 35.31 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.567 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 32.4 Cg_exo -59.77 -38.24 81.73 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.968 2.445 . . . . 0.0 111.303 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -148.94 144.52 26.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.034 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -173.57 134.6 2.94 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.112 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.9 p -80.29 137.3 21.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 110.238 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -82.5 117.62 22.64 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.155 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 12.5 mt -116.74 136.12 53.22 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.2 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 85.0 m -135.46 144.19 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.165 0.507 . . . . 0.0 112.042 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.72 -122.3 8.9 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.435 -0.802 . . . . 0.0 114.609 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.533 ' CD ' ' H ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -55.98 -44.56 78.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.093 -0.553 . . . . 0.0 111.273 -179.196 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.43 ' OE2' ' HB2' ' B' ' 12' ' ' ARG . 2.7 mp0 -60.56 -40.83 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.554 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.647 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 15.3 t80 -61.55 -53.48 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.946 178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.464 HG23 ' CZ3' ' B' ' 27' ' ' TRP . 1.7 mp -59.56 -42.41 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.079 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.875 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 0.9 OUTLIER -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 -178.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.52 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -62.87 -35.58 80.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.785 0.326 . . . . 0.0 111.41 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.786 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 99.2 t -63.56 -42.01 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.484 HG13 HH21 ' B' ' 16' ' ' ARG . 16.1 mm -74.27 -36.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.387 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 0.9 OUTLIER -55.62 -38.86 70.03 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.527 0.679 . . . . 0.0 109.186 178.167 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -62.64 -37.29 85.77 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.285 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 18.1 m -85.95 -9.45 56.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.381 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.67 3.14 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 112.129 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.2 63.52 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 2.2 p -60.62 -46.78 88.99 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -170.8 -45.75 0.02 OUTLIER 'General case' 0 C--O 1.233 0.214 0 C-N-CA 120.299 -0.56 . . . . 0.0 112.421 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.464 ' CZ3' HG23 ' B' ' 15' ' ' ILE . 3.6 p-90 . . . . . 0 C--O 1.251 1.179 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.722 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 121.415 0.626 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -125.5 -50.76 1.63 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.478 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 19' ' ' ASP . 13.9 tp -66.98 -58.51 4.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.084 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' HG2' ' CE2' ' B' ' 14' ' ' PHE . 8.4 tm0? -68.43 -54.84 14.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.327 0.584 . . . . 0.0 111.854 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.722 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 68.7 m -66.29 -47.19 74.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.594 ' HG ' ' HB ' ' A' ' 12' ' ' THR . 1.4 tp -84.46 23.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.92 -29.51 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 121.752 -0.593 . . . . 0.0 109.945 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.0 m -81.17 -40.51 23.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.736 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.594 ' HB ' ' HG ' ' A' ' 9' ' ' LEU . 3.0 m -84.05 -45.49 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.435 ' CG ' ' HB2' ' B' ' 1' ' ' ARG . 10.6 t70 -89.26 -50.23 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.724 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.88 131.16 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' HA ' ' NH2' ' B' ' 1' ' ' ARG . 56.5 m -120.75 137.12 54.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.199 0.523 . . . . 0.0 112.202 -178.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.574 ' O ' HD22 ' A' ' 20' ' ' LEU . 37.7 t -86.85 163.56 17.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -55.57 -34.82 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 109.98 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -60.88 -36.5 79.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.648 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 6' ' ' LEU . 25.2 m-20 -64.15 -44.98 90.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.262 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.786 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 0.5 OUTLIER -64.82 -29.55 70.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.197 -179.78 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.3 m -53.97 -40.33 66.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.17 -34.59 73.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.915 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.97 -42.4 66.58 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.74 ' HB2' HG12 ' B' ' 18' ' ' VAL . 9.3 t -79.84 -23.65 41.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.957 0.408 . . . . 0.0 110.619 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.529 -0.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.887 0.375 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.0 -38.55 8.14 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . . . -75.04 139.77 73.15 Favored Pre-proline 0 N--CA 1.451 -0.423 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.736 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 35.5 Cg_exo -60.53 -49.12 9.55 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.643 2.229 . . . . 0.0 111.902 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -79.84 142.17 35.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.877 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.16 140.2 6.01 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.342 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.83 143.43 11.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.715 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 59.8 mtt85 -73.56 121.81 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.811 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.4 mt -125.67 134.46 51.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.823 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . 0.419 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 73.0 m -140.1 146.85 39.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.131 0.491 . . . . 0.0 111.795 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.15 -128.97 45.15 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.5 -0.773 . . . . 0.0 113.977 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.437 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 2.4 mtm180 -64.86 -34.05 77.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.467 -0.366 . . . . 0.0 111.204 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 10' ' ' CYS . 1.1 mm-40 -61.67 -41.29 97.34 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -178.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.811 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.5 t80 -59.81 -53.58 56.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.201 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -62.68 -41.3 91.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -60.67 -44.65 96.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.54 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -36.41 80.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.825 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.94 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.9 t -66.51 -45.12 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.483 HG21 ' OXT' ' B' ' 27' ' ' TRP . 8.1 mm -67.5 -34.51 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.071 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.89 -45.19 86.78 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.425 HG21 ' O ' ' A' ' 17' ' ' MET . 35.6 m -67.2 -35.63 80.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.376 178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.1 t -64.99 -30.13 71.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.05 -33.17 0.87 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.283 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.59 53.01 37.88 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.641 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 16.0 m -153.89 -47.05 0.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 52.9 mtt85 -64.78 -29.84 70.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.03 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.483 ' OXT' HG21 ' B' ' 19' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.874 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.764 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 121.463 0.649 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.67 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -79.86 -37.3 35.24 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.947 179.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 tp -97.54 -24.23 15.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.968 0.413 . . . . 0.0 110.314 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -92.8 -60.56 1.78 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.473 0.654 . . . . 0.0 111.065 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.764 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 17.9 m -72.04 -50.72 26.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -177.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 28.3 mt -56.97 -15.94 5.95 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 87.0 m -62.92 -38.89 92.76 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.65 -38.6 28.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.157 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -62.34 -47.71 83.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.929 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.715 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 42.9 t0 -135.71 -54.2 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.787 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.37 161.3 10.12 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.004 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 69.6 m -136.97 139.99 41.88 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' HD13 ' A' ' 20' ' ' LEU . 42.8 t -89.89 156.78 18.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.265 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.425 ' O ' HG21 ' B' ' 21' ' ' THR . 3.2 mpp? -57.6 -31.36 66.12 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -59.94 -42.21 93.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.379 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -67.95 -42.41 80.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.674 0.75 . . . . 0.0 109.283 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.94 ' HG ' HG22 ' B' ' 18' ' ' VAL . 6.2 mp -60.46 -29.23 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.598 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 m -56.97 -30.96 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.459 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.79 87.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.49 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.4 mt -74.64 -36.64 62.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' B' ' 22' ' ' CYS . 5.3 t -159.45 105.11 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.584 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.663 ' HD2' ' HA ' ' A' ' 15' ' ' CYS . 2.8 tpm_? . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.632 0.253 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.77 -48.99 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.352 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.05 147.46 83.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.57 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -53.34 -44.32 49.92 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.905 2.403 . . . . 0.0 113.651 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 20.4 p90 -95.51 145.43 25.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.837 0.351 . . . . 0.0 111.084 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.99 134.3 2.99 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.183 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -93.18 145.44 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -72.26 116.74 13.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.851 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.96 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 72.9 mt -132.6 137.23 46.98 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 22.1 m -142.24 146.02 34.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.001 0.429 . . . . 0.0 111.447 -178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.95 -136.3 45.72 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.561 -0.745 . . . . 0.0 114.405 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' B' ' 16' ' ' ARG . 0.0 OUTLIER -68.99 -25.66 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.396 -0.402 . . . . 0.0 110.153 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -64.64 -38.62 91.61 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.96 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 1.6 t80 -61.71 -47.9 83.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.579 -1.191 . . . . 0.0 108.82 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.535 ' O ' HD13 ' B' ' 19' ' ' ILE . 60.8 mt -58.77 -37.72 67.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.583 -1.19 . . . . 0.0 111.391 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 57.3 mtt180 -55.33 -46.97 76.32 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 121.276 -0.17 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.418 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -64.64 -38.68 91.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.249 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.703 HG22 ' HB3' ' A' ' 20' ' ' LEU . 66.7 t -62.55 -43.57 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 CA-C-O 121.923 0.868 . . . . 0.0 108.993 178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.535 HD13 ' O ' ' B' ' 15' ' ' ILE . 0.5 OUTLIER -65.98 -46.58 87.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.2 -47.49 75.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.788 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.418 ' OG1' ' HB3' ' A' ' 17' ' ' MET . 24.0 m -66.87 -33.79 76.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 t -73.06 -42.06 63.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.235 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.58 -47.42 1.04 Allowed Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.609 ' HA2' ' HZ2' ' B' ' 27' ' ' TRP . . . 158.05 146.35 4.49 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.105 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.9 p -168.54 -99.95 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.712 0.256 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' B' ' 27' ' ' TRP . 6.9 tpp180 -150.36 115.28 5.31 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.347 0.594 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.609 ' HZ2' ' HA2' ' B' ' 24' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.355 0 CA-C-N 114.44 -1.255 . . . . 0.0 108.989 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.764 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.344 0.592 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.553 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 24.5 t70 -130.13 -56.82 1.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.134 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 15' ' ' CYS . 2.6 mm? -61.77 -42.17 98.64 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.283 0.563 . . . . 0.0 110.292 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -84.71 -50.88 7.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.445 0.641 . . . . 0.0 110.694 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.764 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 26.9 m -77.23 -70.35 0.47 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -176.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 9.0 mp -63.29 -26.29 68.71 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.2 t -54.91 -36.45 65.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 118.181 0.446 . . . . 0.0 112.165 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 t -74.15 -24.67 59.44 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.148 0.499 . . . . 0.0 109.716 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 m -83.47 -50.89 7.84 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.845 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.89 -65.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.692 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.536 ' O ' ' HD2' ' B' ' 1' ' ' ARG . . . 165.1 -179.36 39.71 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.663 ' HA ' ' HD2' ' B' ' 1' ' ' ARG . 21.9 p -157.03 134.29 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 110.098 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.634 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -82.15 144.16 30.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.305 -178.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.537 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.1 mpp? -57.31 -32.96 67.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.626 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 p -60.06 -44.45 94.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.417 0.627 . . . . 0.0 111.16 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' HB3' HD11 ' A' ' 6' ' ' LEU . 1.4 m-20 -68.8 -34.87 76.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.703 ' HB3' HG22 ' B' ' 18' ' ' VAL . 64.6 mt -62.89 -35.56 80.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.084 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.8 m -49.19 -37.74 23.67 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.69 -34.0 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 6' ' ' LEU . 93.0 mt -66.16 -36.35 82.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -64.21 -30.22 71.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.569 -0.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.26 -46.15 0.42 Allowed 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.351 0.407 . . . . 0.0 110.4 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.524 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -84.58 135.47 40.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.068 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -65.49 -49.15 2.63 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.867 2.378 . . . . 0.0 112.551 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -63.68 147.89 50.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.768 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.65 145.24 9.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.22 -0.99 . . . . 0.0 112.927 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -94.16 148.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 mmm-85 -70.49 113.92 8.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 48.2 mt -134.46 140.1 45.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 95.6 m -144.59 160.57 40.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.014 0.435 . . . . 0.0 111.881 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.57 -125.46 3.45 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 114.933 -1.031 . . . . 0.0 115.614 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -69.5 -33.2 72.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.793 -0.703 . . . . 0.0 111.647 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.3 mp0 -62.82 -43.07 99.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.42 0.628 . . . . 0.0 109.306 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 20.4 t80 -61.12 -52.87 63.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.511 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 31.3 mt -61.63 -36.32 72.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.343 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -37.14 86.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.005 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -66.89 -33.55 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.205 0.526 . . . . 0.0 109.753 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.823 HG22 ' HG ' ' A' ' 20' ' ' LEU . 87.6 t -63.58 -42.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.887 HG21 ' HB2' ' B' ' 27' ' ' TRP . 11.3 mm -70.26 -33.82 56.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.178 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.0 OUTLIER -58.3 -44.66 88.66 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 21.2 m -67.9 -35.87 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.437 -1.256 . . . . 0.0 109.754 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.92 -5.27 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.031 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.48 31.37 68.3 Favored Glycine 0 CA--C 1.52 0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 113.143 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.86 49.2 72.67 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.439 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 20.1 p -64.46 -35.44 80.94 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 24.9 ptt-85 -167.2 44.65 0.05 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.887 ' HB2' HG21 ' B' ' 19' ' ' ILE . 36.5 m95 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.488 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.729 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.224 -0.247 0 CA-C-O 120.881 0.372 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.822 ' HA ' HD13 ' A' ' 9' ' ' LEU . 11.3 p-10 -63.19 -23.37 67.4 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.996 0.427 . . . . 0.0 110.726 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.65 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 20.4 tp -86.82 -50.48 6.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.703 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -90.11 -57.17 2.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.115 0.483 . . . . 0.0 112.069 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.729 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 98.6 m -52.96 -51.25 62.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.008 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' HA ' ' A' ' 5' ' ' ASP . 10.6 mp -70.52 -22.17 62.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 111.399 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 10.9 t -68.61 -36.46 78.69 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.166 0.508 . . . . 0.0 110.037 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.2 m -68.09 -35.36 78.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.883 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 p -80.78 -59.09 2.81 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.13 -55.13 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.47 159.22 8.63 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.644 -1.265 . . . . 0.0 113.276 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' A' ' 20' ' ' LEU . 19.9 p -129.8 139.54 51.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.815 0.34 . . . . 0.0 110.126 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.558 ' O ' HD13 ' A' ' 20' ' ' LEU . 37.6 t -76.5 144.28 39.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.147 0.498 . . . . 0.0 111.267 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttm -55.72 -42.98 76.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.404 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.2 p -58.11 -42.58 86.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.743 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.93 -35.11 80.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.715 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HG ' HG22 ' B' ' 18' ' ' VAL . 6.1 mp -55.96 -34.42 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.326 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -50.19 -31.1 12.87 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.76 84.45 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.597 ' HG ' HD23 ' A' ' 6' ' ' LEU . 61.5 mt -68.17 -40.58 82.25 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.8 t -76.41 -20.56 56.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.871 0.367 . . . . 0.0 110.937 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.497 -0.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.533 ' HD3' ' O ' ' A' ' 14' ' ' GLY . 28.8 tpt180 . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.07 60.09 2.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.178 0.513 . . . . 0.0 110.197 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.54 160.28 30.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.33 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.28 -39.8 16.26 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.39 2.727 . . . . 0.0 113.344 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -142.46 151.65 41.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.802 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.02 137.14 4.54 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.476 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.32 141.93 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 10' ' ' CYS . 34.3 ttm180 -75.54 125.61 29.36 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -135.13 140.54 45.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.65 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.9 m -144.63 173.19 12.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 111.085 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.435 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 47.98 -134.32 17.18 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 115.449 -0.796 . . . . 0.0 114.829 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.067 -0.567 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.16 -45.91 91.33 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.508 ' O ' HG23 ' B' ' 18' ' ' VAL . 28.8 t80 -62.24 -48.97 77.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.778 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.435 HG12 ' O ' ' B' ' 11' ' ' GLY . 50.8 mm -57.62 -43.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.079 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.523 ' HA ' ' NE ' ' B' ' 16' ' ' ARG . 4.7 mmp_? -66.46 -40.92 89.68 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.247 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -37.19 86.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.726 0.298 . . . . 0.0 111.314 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 14' ' ' PHE . 83.2 t -64.73 -43.43 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-O 121.509 0.671 . . . . 0.0 109.32 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.42 HG12 ' O ' ' B' ' 15' ' ' ILE . 6.0 mm -72.11 -35.51 53.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.639 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -47.59 82.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.469 HG21 ' O ' ' A' ' 17' ' ' MET . 30.4 m -67.54 -33.78 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.149 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -65.65 -28.17 68.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.865 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.39 16.89 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 116.033 -0.531 . . . . 0.0 113.059 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 55.9 53.16 44.03 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.215 -0.517 . . . . 0.0 113.159 178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -65.53 -35.4 80.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.3 24.97 0.11 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.081 0.467 . . . . 0.0 111.263 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.454 ' N ' ' CD1' ' B' ' 27' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.493 -1.242 . . . . 0.0 109.187 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.646 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.52 -0.207 0 CA-C-O 121.394 0.616 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -119.49 -63.43 1.38 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.444 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.7 mm? -64.93 -41.52 95.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.15 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -80.84 -39.72 26.1 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.632 0.73 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.646 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 58.2 m -89.08 -68.13 0.79 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.96 -36.21 67.57 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 81.0 m -59.32 -35.0 73.01 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.18 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' O ' ' HD3' ' B' ' 8' ' ' ARG . 17.1 m -81.26 -27.77 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 110.958 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -78.37 -48.73 14.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.068 0.461 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.41 -71.32 0.74 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.249 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' ' HD3' ' B' ' 1' ' ' ARG . . . 154.82 164.86 13.36 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.4 m -141.72 158.88 43.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.814 0.807 . . . . 0.0 111.746 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.2 t -84.41 158.92 20.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.986 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.514 ' HE2' HD22 ' A' ' 20' ' ' LEU . 20.3 mmt -60.51 -33.28 72.4 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.4 p -61.81 -37.35 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.07 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 6' ' ' LEU . 53.4 m-20 -63.43 -47.29 82.54 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.577 0.703 . . . . 0.0 109.627 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.514 HD22 ' HE2' ' A' ' 17' ' ' MET . 11.0 mp -60.3 -31.19 70.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.839 -1.073 . . . . 0.0 112.033 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -54.13 -33.12 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -39.95 90.23 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 6' ' ' LEU . 35.5 mt -65.96 -40.38 91.25 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.53 -20.46 56.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.8 0.333 . . . . 0.0 110.876 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.447 -0.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.515 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 48.1 ttp180 . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.79 133.63 48.6 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -160.95 150.92 14.43 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.575 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -53.6 -40.62 78.58 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.966 2.444 . . . . 0.0 112.233 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -134.23 140.48 46.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.064 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . 0.522 ' HA2' ' OG ' ' A' ' 16' ' ' SER . . . -175.16 125.55 1.09 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.451 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 16' ' ' SER . 7.2 p -87.74 138.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.881 0.372 . . . . 0.0 110.007 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -89.21 121.17 31.25 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.689 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 24.0 mt -131.92 141.76 49.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.618 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 72.6 m -136.19 163.7 29.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.901 0.382 . . . . 0.0 111.659 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.29 -121.41 0.83 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 116.169 1.227 . . . . 0.0 116.169 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.468 ' HA ' HG22 ' B' ' 15' ' ' ILE . 16.7 mmp_? -71.42 -32.95 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.869 -0.666 . . . . 0.0 111.569 -178.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.502 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 2.1 mp0 -62.47 -43.28 99.2 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 37.5 t80 -59.17 -55.83 29.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.551 ' O ' HD13 ' B' ' 19' ' ' ILE . 10.3 tp -61.99 -39.47 83.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.494 -179.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.642 ' NH2' HG12 ' B' ' 19' ' ' ILE . 5.2 mmp_? -65.6 -37.75 87.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.966 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.499 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -62.87 -34.35 77.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.738 0.304 . . . . 0.0 110.468 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.807 HG22 HD22 ' A' ' 20' ' ' LEU . 88.2 t -63.89 -43.22 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.642 HG12 ' NH2' ' B' ' 16' ' ' ARG . 1.7 mp -66.99 -43.4 89.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.727 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.62 -48.5 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.542 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 17' ' ' MET . 28.7 m -66.2 -36.91 84.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.518 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.93 -39.58 87.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.76 -22.98 4.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.582 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' OXT' ' B' ' 27' ' ' TRP . . . 68.73 32.89 74.74 Favored Glycine 0 C--O 1.229 -0.206 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.785 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 14.5 m -98.44 32.91 2.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.897 0.38 . . . . 0.0 111.252 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -172.29 -33.88 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.41 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.502 ' HZ2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.429 -0.805 . . . . 0.0 108.982 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.717 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 121.41 0.624 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.515 ' OD2' ' HB2' ' B' ' 1' ' ' ARG . 7.6 t70 -131.45 -53.0 1.02 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.755 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 38.3 tp -64.06 -47.61 79.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.302 0.572 . . . . 0.0 109.811 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.499 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 7.7 tt0 -80.02 -55.72 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.435 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.717 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 37.6 m -67.59 -52.31 40.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -177.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.0 mp -81.69 35.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 51.1 t -81.83 -35.57 29.27 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.4 m -68.68 -35.73 77.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.18 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -73.9 -55.78 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -67.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 110.798 -178.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.08 134.22 1.73 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.798 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' SG ' HD12 ' B' ' 9' ' ' LEU . 6.0 p -93.52 -24.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.843 -0.21 . . . . 0.0 111.485 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.71 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 36.8 m 68.94 142.1 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.556 0.693 . . . . 0.0 112.239 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.573 ' O ' HG21 ' B' ' 21' ' ' THR . 2.3 mpp? -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.789 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -51.34 -47.84 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.702 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.85 -35.57 77.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.437 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.807 HD22 HG22 ' B' ' 18' ' ' VAL . 71.1 mt -55.13 -32.11 61.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.751 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -52.32 -40.75 62.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.1 76.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.41 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.2 mt -63.35 -31.45 72.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.453 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HA ' ' HZ2' ' B' ' 27' ' ' TRP . 42.7 t -63.17 -32.6 74.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.461 . . . . 0.0 110.638 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.412 -0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.641 ' HD3' ' O ' ' A' ' 14' ' ' GLY . 5.6 ptm180 . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 119.368 -0.349 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.31 -50.79 66.54 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.809 0.338 . . . . 0.0 111.241 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.73 135.65 45.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.539 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.44 -44.84 16.6 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.847 2.365 . . . . 0.0 111.997 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.486 ' HE2' ' HG ' ' A' ' 16' ' ' SER . 54.4 p90 -111.3 139.33 46.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.375 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.8 144.62 8.88 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.951 -0.642 . . . . 0.0 111.908 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.4 148.23 8.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.7 0.286 . . . . 0.0 110.236 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.83 121.62 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.994 0.426 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.545 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 56.0 mt -125.88 127.99 46.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 83.5 m -138.32 143.74 40.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 48.36 -130.19 20.0 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.274 -0.875 . . . . 0.0 114.807 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.494 ' H ' ' HG3' ' B' ' 12' ' ' ARG . 24.6 mtm180 -52.28 -40.8 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.421 0.688 . . . . 0.0 111.606 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mp0 -60.65 -44.75 96.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.5 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.545 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 14.2 t80 -62.83 -48.72 77.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.611 ' O ' HD13 ' B' ' 19' ' ' ILE . 1.8 mp -60.11 -46.21 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.487 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.445 ' NH2' HG21 ' B' ' 19' ' ' ILE . 1.0 OUTLIER -63.8 -36.58 84.38 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.326 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.34 90.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.771 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.669 HG22 ' HG ' ' A' ' 20' ' ' LEU . 81.4 t -63.84 -42.08 94.68 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.611 HD13 ' O ' ' B' ' 15' ' ' ILE . 1.7 mp -64.95 -40.94 90.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.429 -1.26 . . . . 0.0 109.696 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.98 -36.28 74.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.838 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 52.7 m -64.43 -32.59 74.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.738 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 60.1 m -74.21 -11.07 60.18 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.546 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.29 27.18 73.15 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.557 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.549 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 54.8 30.33 52.28 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.559 -0.353 . . . . 0.0 112.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 28.9 m -95.18 27.95 3.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.626 0.251 . . . . 0.0 111.649 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 53.0 ttp85 -176.21 -31.1 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.803 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.549 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.176 -1.392 . . . . 0.0 109.56 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.787 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.226 -0.139 0 CA-C-O 120.476 0.179 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.63 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -56.23 -28.02 56.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.969 0.414 . . . . 0.0 109.919 178.295 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -78.04 -91.38 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 178.557 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' H ' ' HB3' ' A' ' 6' ' ' LEU . 38.9 tt0 -52.26 -55.67 19.77 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -178.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.787 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 90.1 m -57.74 -39.53 77.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 10.7 mp -95.56 17.58 14.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.7 m -72.31 -44.88 62.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 81.6 m -81.94 -38.23 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 m -70.28 -48.89 54.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.854 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' OD1' ' HG2' ' B' ' 1' ' ' ARG . 10.3 t70 -109.19 -68.65 0.9 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.196 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.641 ' O ' ' HD3' ' B' ' 1' ' ' ARG . . . 151.86 137.86 2.68 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.183 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 89.7 m -120.03 140.5 50.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.171 0.51 . . . . 0.0 111.386 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.486 ' HG ' ' HE2' ' B' ' 5' ' ' TYR . 46.7 t -110.37 161.33 15.75 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.025 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.414 ' H ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -60.72 -24.33 65.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.255 0.55 . . . . 0.0 110.108 178.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -62.33 -43.65 98.33 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.399 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.783 ' HB3' HD21 ' A' ' 6' ' ' LEU . 1.3 m-20 -75.38 -40.75 57.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.368 0.604 . . . . 0.0 110.519 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.669 ' HG ' HG22 ' B' ' 18' ' ' VAL . 7.3 mp -57.86 -23.34 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.706 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.9 p -53.65 -40.04 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.54 88.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.076 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.3 mt -71.69 -32.2 67.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.359 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.5 t -60.69 -35.32 76.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.819 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.475 -0.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.14 -41.31 20.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.491 ' HA ' ' HD3' ' B' ' 4' ' ' PRO . . . -92.62 118.07 67.84 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.972 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 12.1 Cg_exo -71.6 93.28 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 123.096 2.531 . . . . 0.0 114.691 -178.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 16' ' ' SER . 32.2 p90 177.63 -177.37 0.19 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.121 -1.399 . . . . 0.0 107.934 177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.51 150.36 9.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 119.213 -1.47 . . . . 0.0 113.64 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 4.0 p -134.82 142.5 40.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -71.11 108.55 4.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.717 0.294 . . . . 0.0 111.214 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.542 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 40.6 mt -133.73 131.12 39.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.67 164.32 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.999 0.428 . . . . 0.0 111.674 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.535 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 55.22 -137.98 43.84 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.623 -0.717 . . . . 0.0 113.444 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.97 68.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 3.1 mp0 -65.31 -42.04 93.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.349 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.528 ' O ' HG23 ' B' ' 18' ' ' VAL . 32.9 t80 -62.82 -46.15 89.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.489 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.535 HG12 ' O ' ' B' ' 11' ' ' GLY . 10.9 mm -59.17 -45.54 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.299 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' B' ' 16' ' ' ARG . 14.0 mmt180 -64.23 -38.57 91.51 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' B' ' 9' ' ' LEU . . . -64.47 -38.25 90.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.728 0.299 . . . . 0.0 110.947 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.89 HG22 ' HG ' ' A' ' 20' ' ' LEU . 86.8 t -66.54 -43.88 90.47 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.532 0.682 . . . . 0.0 109.38 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.802 HG21 ' HB2' ' B' ' 27' ' ' TRP . 10.6 mm -70.51 -34.48 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.715 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -46.43 87.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.545 HG21 ' O ' ' A' ' 17' ' ' MET . 34.8 m -68.92 -35.84 77.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.149 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.12 -26.48 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.604 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.11 37.61 6.68 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.776 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.71 53.65 36.71 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 3.7 p -58.24 -47.77 82.5 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -173.34 37.84 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.201 0.524 . . . . 0.0 111.248 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.802 ' HB2' HG21 ' B' ' 19' ' ' ILE . 7.0 m95 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 117.912 -1.042 . . . . 0.0 109.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.774 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.223 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.7 p-10 -64.0 -23.83 67.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.294 0.569 . . . . 0.0 109.884 178.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 15' ' ' CYS . 56.2 tp -77.46 -76.33 0.18 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.308 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.468 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 50.3 tt0 -69.96 -58.27 4.05 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.774 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 91.6 m -54.36 -48.86 70.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.908 -178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 5' ' ' ASP . 92.5 mt -94.2 25.32 3.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 29.7 t -73.94 -37.6 64.52 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.797 178.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -35.78 68.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.429 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -75.45 -58.98 2.95 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -106.03 -61.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.214 0.53 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.65 134.91 2.83 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.095 -1.05 . . . . 0.0 112.614 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.662 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 9.5 p -96.5 129.7 43.81 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.266 0.555 . . . . 0.0 110.749 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.521 ' O ' HD13 ' A' ' 20' ' ' LEU . 1.4 m -69.93 133.45 47.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.269 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.545 ' O ' HG21 ' B' ' 21' ' ' THR . 4.4 ppp? -63.14 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.716 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -60.96 -38.95 87.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.307 0.575 . . . . 0.0 110.019 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.92 -35.41 74.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.833 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.89 ' HG ' HG22 ' B' ' 18' ' ' VAL . 4.3 mp -57.45 -26.56 61.38 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.278 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -53.74 -38.55 64.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 111.467 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.83 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.053 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.97 -38.79 92.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.634 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.597 ' HB2' HG12 ' B' ' 18' ' ' VAL . 44.7 t -82.67 -23.28 34.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 0.0 110.331 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.38 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.434 ' HB2' ' OD2' ' A' ' 13' ' ' ASP . 41.7 ttt-85 . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.745 0.307 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.39 87.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.739 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.25 144.22 97.51 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.356 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.82 -43.91 48.44 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.319 2.679 . . . . 0.0 112.272 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 16' ' ' SER . 32.6 p90 -133.57 162.2 32.54 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 138.85 5.89 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 119.516 -1.326 . . . . 0.0 113.16 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -112.96 145.21 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' B' ' 8' ' ' ARG . 20.7 mmt85 -75.81 107.07 7.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.036 0.446 . . . . 0.0 111.143 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 15' ' ' CYS . 49.5 mt -120.57 130.76 54.34 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 m -129.71 133.37 47.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.301 0.572 . . . . 0.0 112.419 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.41 -123.72 19.74 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.003 -0.999 . . . . 0.0 114.647 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.552 ' HA ' ' HE ' ' B' ' 12' ' ' ARG . 4.6 tpm_? -50.22 -41.57 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 123.434 0.694 . . . . 0.0 112.409 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.57 -38.69 92.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.377 0.423 . . . . 0.0 111.611 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.558 ' O ' HG23 ' B' ' 18' ' ' VAL . 22.1 t80 -59.18 -47.04 86.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.92 -45.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.934 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -62.04 -42.34 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.726 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.473 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -63.43 -35.83 81.72 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.733 0.302 . . . . 0.0 111.407 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.793 HG22 ' HG ' ' A' ' 20' ' ' LEU . 93.3 t -65.93 -44.38 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.404 HG23 ' O ' ' B' ' 27' ' ' TRP . 6.2 mm -69.8 -39.65 78.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.424 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.37 -48.01 74.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.255 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.572 HG21 ' O ' ' A' ' 17' ' ' MET . 21.7 m -70.62 -34.8 72.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.267 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 t -65.94 -27.01 67.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.29 23.39 78.03 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.95 36.75 89.46 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.298 -0.451 . . . . 0.0 112.309 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 69.0 m -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -114.72 -32.99 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.851 0.358 . . . . 0.0 110.455 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.404 ' O ' HG23 ' B' ' 19' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.257 1.457 0 CA-C-O 117.047 -1.454 . . . . 0.0 107.963 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.797 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 120.426 0.155 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 6.5 p-10 -65.86 -31.88 73.08 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.139 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 19' ' ' ASP . 48.4 tp -70.3 -66.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.747 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -76.82 -59.71 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 112.138 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.797 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 90.0 m -58.34 -52.75 64.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.118 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 90.4 mt -94.98 34.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -178.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -69.86 -37.46 76.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.499 0.666 . . . . 0.0 109.686 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.16 -31.29 65.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -84.39 -50.06 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.434 ' OD2' ' HB2' ' B' ' 1' ' ' ARG . 42.1 t0 -106.79 -63.46 1.28 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.17 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.18 143.05 3.74 Favored Glycine 0 CA--C 1.517 0.193 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.679 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 6' ' ' LEU . 29.2 p -127.58 143.96 51.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.051 0.453 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.555 ' O ' HD13 ' A' ' 20' ' ' LEU . 12.1 t -82.99 141.61 31.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.572 ' O ' HG21 ' B' ' 21' ' ' THR . 62.6 mtm -65.73 -32.92 74.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -65.85 -40.89 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 109.763 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.609 ' HB3' HD21 ' A' ' 6' ' ' LEU . 1.1 m-20 -67.04 -36.82 82.91 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.627 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.793 ' HG ' HG22 ' B' ' 18' ' ' VAL . 4.8 mp -62.02 -28.43 69.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.405 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.0 m -56.39 -40.43 74.6 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.921 0.391 . . . . 0.0 110.527 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.15 -34.23 74.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.993 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.56 -35.42 80.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 t -64.48 -35.97 82.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.426 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.491 -0.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.577 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 14.1 ptm180 . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 121.187 0.518 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.18 90.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.567 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.45 141.42 65.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.755 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -44.93 -48.44 10.84 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.834 3.022 . . . . 0.0 113.96 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' SER . 26.0 t80 -64.89 140.27 58.85 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.803 -178.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.47 121.74 1.01 Allowed Glycine 0 N--CA 1.435 -1.401 0 C-N-CA 120.244 -0.979 . . . . 0.0 112.968 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.402 ' N ' ' H ' ' A' ' 15' ' ' CYS . 5.4 p -108.68 142.39 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 13' ' ' ASP . 56.2 mtt85 -65.94 120.93 13.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.162 0.505 . . . . 0.0 111.314 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.842 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 39.3 mt -127.91 124.26 36.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.855 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 58.2 m -136.4 144.41 44.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.178 0.513 . . . . 0.0 112.269 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 54.22 -126.9 37.74 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.938 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.491 ' HD2' ' O ' ' B' ' 12' ' ' ARG . 6.8 tmm_? -59.35 -39.9 84.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.976 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.19 -41.76 99.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.93 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.842 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.6 t80 -58.17 -53.7 55.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.285 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.53 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.586 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.69 ' HE ' ' HA ' ' B' ' 16' ' ' ARG . 3.4 tpm_? -63.37 -42.09 98.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' B' ' 20' ' ' PHE . . . -61.39 -36.35 80.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.798 HG12 ' HB2' ' A' ' 24' ' ' CYS . 84.2 t -62.52 -41.07 90.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.661 HG13 HH21 ' B' ' 16' ' ' ARG . 11.4 mm -70.25 -37.93 72.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.127 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.43 ' HB2' ' HA ' ' B' ' 17' ' ' ALA . 1.2 m-85 -54.79 -39.68 68.67 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.481 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 94.2 m -63.64 -41.99 98.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.65 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . 0.432 ' HB3' ' OG ' ' B' ' 25' ' ' SER . 2.6 m -74.58 -32.06 62.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.447 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.32 37.37 11.06 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.067 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.84 48.47 83.64 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.22 -0.514 . . . . 0.0 112.491 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' B' ' 22' ' ' CYS . 1.1 m -74.21 0.86 12.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.408 ' HG3' ' HD1' ' B' ' 27' ' ' TRP . 2.9 ptt-85 -170.09 -36.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.408 ' HD1' ' HG3' ' B' ' 26' ' ' ARG . 6.6 p-90 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 117.085 -1.436 . . . . 0.0 108.764 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.726 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.574 0.702 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.747 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 5.8 t70 -121.13 -60.03 1.67 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.51 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 19' ' ' ASP . 12.9 tp -63.42 -34.81 78.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.479 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -91.98 -46.98 7.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.446 0.641 . . . . 0.0 110.906 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.726 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 35.9 m -85.49 -69.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -176.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.747 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mm? -52.03 -31.76 31.21 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 66.1 m -59.72 -34.47 72.95 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.6 t -82.89 -36.03 25.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.482 0.658 . . . . 0.0 109.504 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -64.91 -43.72 91.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.709 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.695 ' HA ' ' CZ ' ' B' ' 8' ' ' ARG . 38.8 t70 -137.83 -47.54 0.55 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 10' ' ' CYS . . . -179.09 156.82 19.54 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 118.666 -1.73 . . . . 0.0 114.484 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -138.86 141.69 38.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.368 -0.416 . . . . 0.0 111.169 -179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 48.2 t -98.51 147.63 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.501 ' HA ' HD12 ' A' ' 20' ' ' LEU . 69.2 mtm -63.09 -36.86 84.99 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -61.47 -35.66 78.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.799 0.333 . . . . 0.0 110.792 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.65 ' HB3' HD13 ' A' ' 6' ' ' LEU . 1.8 m-20 -69.76 -43.26 72.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.061 0.458 . . . . 0.0 109.853 179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.752 HD22 HG22 ' B' ' 18' ' ' VAL . 86.8 mt -54.07 -32.31 54.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.818 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -53.14 -33.38 52.17 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.686 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.61 92.76 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 6' ' ' LEU . 93.3 mt -69.87 -39.09 76.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.078 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.798 ' HB2' HG12 ' B' ' 18' ' ' VAL . 40.3 t -74.65 -20.74 59.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.538 ' HB2' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.748 0.308 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.13 -43.12 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.867 0.365 . . . . 0.0 111.064 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.39 142.64 78.45 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.509 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -59.41 -43.83 37.39 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.25 2.633 . . . . 0.0 111.936 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 16' ' ' SER . 43.4 p90 -83.12 142.8 30.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.837 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.78 155.68 26.81 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.482 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.54 150.19 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -68.17 120.53 14.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.583 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 33.8 mt -134.53 130.85 37.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 89.8 m -141.5 140.67 33.56 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.38 -123.85 8.76 Favored Glycine 0 C--N 1.333 0.41 0 CA-C-N 114.746 -1.115 . . . . 0.0 114.874 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -52.09 -43.91 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.825 -0.688 . . . . 0.0 112.385 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -41.35 91.23 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.244 0.545 . . . . 0.0 110.142 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.505 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.3 t80 -59.35 -49.9 76.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.862 178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.0 -39.78 86.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.053 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -65.07 -38.66 91.52 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.678 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.95 -34.62 77.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.572 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.522 HG12 ' HB2' ' A' ' 24' ' ' CYS . 92.2 t -64.12 -44.45 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 109.377 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.556 HD12 ' HB2' ' B' ' 25' ' ' SER . 13.8 mm -69.95 -40.64 78.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.912 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -43.81 88.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.353 0.597 . . . . 0.0 109.567 178.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 17' ' ' MET . 24.6 m -71.07 -33.14 69.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.425 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.04 -39.15 88.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.349 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.1 -47.33 1.03 Allowed Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.141 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.13 55.44 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.044 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.556 ' HB2' HD12 ' B' ' 19' ' ' ILE . 1.8 m -64.52 152.93 40.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.924 0.392 . . . . 0.0 111.012 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -99.01 51.39 0.96 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.449 ' NE1' ' HB3' ' B' ' 25' ' ' SER . 34.5 p-90 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 117.742 -1.123 . . . . 0.0 109.085 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.795 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 121.989 0.9 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -93.68 -64.32 1.1 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.833 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.732 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 3.1 mm? -68.64 -32.39 72.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.264 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -86.3 -50.82 6.65 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.123 0.487 . . . . 0.0 111.447 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.795 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 8.1 m -90.6 -61.39 1.69 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.538 HD23 ' HB2' ' B' ' 1' ' ' ARG . 15.6 tp -55.54 -32.52 63.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.732 ' SG ' ' HA ' ' A' ' 6' ' ' LEU . 74.1 m -59.49 -34.35 72.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.869 0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.7 m -82.37 -32.34 29.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.069 0.461 . . . . 0.0 110.197 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.46 ' HB ' HD12 ' A' ' 9' ' ' LEU . 5.2 m -71.36 -48.87 47.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.659 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -124.24 -66.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 155.52 153.49 6.57 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.0 m -137.67 152.43 49.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.484 ' HB2' ' CE2' ' B' ' 5' ' ' TYR . 54.1 p -85.54 163.44 18.38 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.516 ' HB2' ' OG1' ' B' ' 21' ' ' THR . 0.0 OUTLIER -66.53 -22.92 66.16 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 m -65.85 -41.81 91.23 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.985 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.72 ' HB3' HD11 ' A' ' 6' ' ' LEU . 2.1 m-20 -61.84 -44.72 96.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.612 0.72 . . . . 0.0 109.948 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' HB3' HG22 ' B' ' 18' ' ' VAL . 11.3 mp -67.05 -23.09 65.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.434 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -56.07 -39.21 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.713 0.292 . . . . 0.0 111.602 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.73 -28.21 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 6' ' ' LEU . 98.9 mt -69.28 -38.89 78.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.522 ' HB2' HG12 ' B' ' 18' ' ' VAL . 23.4 t -81.61 73.77 8.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 0.0 110.424 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.437 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.414 HH21 ' CG ' ' A' ' 13' ' ' ASP . 11.6 ttm180 . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.89 -55.06 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 16' ' ' SER . . . -75.43 152.92 85.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.414 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.53 -49.82 14.77 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.061 2.507 . . . . 0.0 113.155 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -73.7 153.55 40.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.22 135.61 4.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.195 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.14 147.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -79.13 116.56 19.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 57.1 mt -129.54 135.11 48.19 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 76.6 m -142.35 156.21 45.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.498 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.431 ' O ' HG12 ' B' ' 15' ' ' ILE . . . 51.65 -139.72 26.76 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 114.339 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.623 ' HA ' HG12 ' B' ' 15' ' ' ILE . 0.0 OUTLIER -70.34 -18.39 63.08 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -179.695 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -64.71 -43.24 94.1 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.574 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 31.5 t80 -61.19 -47.66 85.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.217 -1.356 . . . . 0.0 109.39 177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.623 HG12 ' HA ' ' B' ' 12' ' ' ARG . 8.6 mm -58.13 -43.32 85.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.862 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.562 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.8 mmp_? -66.24 -41.53 89.86 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.54 77.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.855 0.36 . . . . 0.0 111.061 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 20' ' ' LEU . 91.3 t -66.21 -44.37 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.497 0.665 . . . . 0.0 109.341 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.562 HG13 ' NH2' ' B' ' 16' ' ' ARG . 31.4 mm -70.2 -34.98 61.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.252 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -59.21 -41.8 89.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.433 HG21 ' O ' ' A' ' 17' ' ' MET . 90.8 m -64.31 -39.4 93.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.851 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' B' ' 25' ' ' SER . 23.3 m -77.29 -6.94 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.436 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.72 42.18 95.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.411 -0.423 . . . . 0.0 112.904 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.41 54.73 11.92 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.497 -0.859 . . . . 0.0 111.79 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' B' ' 22' ' ' CYS . 3.2 p -57.24 -37.43 72.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -161.28 -40.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.675 -178.112 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.704 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.227 -0.11 0 CA-C-O 121.479 0.657 . . . . 0.0 111.402 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.466 ' HA ' ' CB ' ' A' ' 9' ' ' LEU . 2.2 t70 -126.44 -57.51 1.37 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.134 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 15' ' ' CYS . 45.0 tp -58.8 -41.81 87.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.204 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' HA ' ' CZ ' ' B' ' 14' ' ' PHE . 39.5 tt0 -90.46 -62.64 1.41 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.605 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.704 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 42.1 m -65.41 -57.91 7.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -177.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 5' ' ' ASP . 15.2 tp -69.78 -4.37 19.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -177.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 37.7 t -63.59 -34.45 77.84 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.041 -0.412 . . . . 0.0 110.541 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.5 m -72.69 -37.65 67.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.893 0.377 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.463 ' HB ' HD12 ' A' ' 9' ' ' LEU . 8.0 m -82.15 -58.75 2.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' CG ' HH21 ' B' ' 1' ' ' ARG . 29.1 t70 -92.41 -51.89 4.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.78 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.48 139.16 5.25 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.695 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HB2' HD12 ' A' ' 6' ' ' LEU . 26.9 p -115.6 140.78 48.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.168 0.509 . . . . 0.0 110.782 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.41 143.32 32.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.619 -179.192 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.433 ' O ' HG21 ' B' ' 21' ' ' THR . 4.6 mpp? -58.86 -39.91 82.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 110.43 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.8 m -59.25 -41.52 88.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.571 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.81 -37.13 86.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.612 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.544 ' HB3' HG22 ' B' ' 18' ' ' VAL . 69.2 mt -52.33 -32.21 36.9 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.471 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -52.68 -28.28 21.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.06 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.82 92.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.542 ' HG ' HD23 ' A' ' 6' ' ' LEU . 78.7 mt -74.79 -41.94 59.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 111.648 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -19.43 55.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.638 -0.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.985 0.421 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.92 92.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.085 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 16' ' ' SER . . . -90.72 137.8 26.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.225 179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 3' ' ' ALA . 44.7 Cg_exo -57.67 -46.59 25.93 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.724 2.283 . . . . 0.0 112.102 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -70.67 145.54 50.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.56 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.37 145.65 8.98 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.93 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.32 144.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.661 ' NH2' ' HA ' ' A' ' 13' ' ' ASP . 55.3 mtt85 -77.11 124.55 27.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.496 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.694 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 23.2 mt -131.97 128.63 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.221 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 m -140.95 148.83 41.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.196 0.522 . . . . 0.0 111.827 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.18 -133.67 52.59 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.384 -0.825 . . . . 0.0 113.974 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -64.73 -29.18 70.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.497 -0.352 . . . . 0.0 111.783 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.07 -41.69 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.375 0.607 . . . . 0.0 109.544 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.694 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.1 t80 -61.33 -49.41 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.015 178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 46.1 mm -56.92 -44.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.759 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' B' ' 16' ' ' ARG . 27.8 ttm105 -63.23 -43.88 96.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.135 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.85 78.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.354 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.519 HG23 ' O ' ' B' ' 14' ' ' PHE . 81.6 t -65.38 -44.09 94.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.469 HG23 ' O ' ' B' ' 27' ' ' TRP . 5.7 mm -68.84 -39.41 79.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.053 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.78 -47.99 76.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.34 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 17' ' ' MET . 34.8 m -67.91 -36.36 80.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.057 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.86 -26.45 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.65 25.56 75.51 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.37 35.8 86.46 Favored Glycine 0 CA--C 1.521 0.453 0 CA-C-N 115.322 -0.439 . . . . 0.0 112.406 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 75.6 m -66.77 -40.59 88.29 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.069 0.462 . . . . 0.0 111.676 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.576 ' HA ' ' NE ' ' B' ' 26' ' ' ARG . 4.4 mmp_? -115.97 -37.96 3.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.942 0.401 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.469 ' O ' HG23 ' B' ' 19' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.257 1.456 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.835 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.638 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.681 0.753 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.402 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 1.7 t70 -123.03 -59.64 1.57 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.679 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.711 ' HB3' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.54 -38.46 91.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.403 0.62 . . . . 0.0 110.419 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -86.46 -46.4 10.24 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.457 0.646 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.638 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 29.6 m -82.15 -66.7 0.86 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -177.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 3.4 mm? -51.93 -38.85 57.91 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.2 m -59.66 -34.91 73.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.0 t -85.13 -39.57 17.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.938 0.399 . . . . 0.0 110.329 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -66.71 -45.06 79.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.661 ' HA ' ' NH2' ' B' ' 8' ' ' ARG . 35.5 t0 -132.98 -46.8 0.85 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.879 0.371 . . . . 0.0 111.45 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.19 167.9 11.09 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.32 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -157.41 158.85 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.551 ' HB2' ' HB3' ' B' ' 3' ' ' ALA . 48.2 t -73.42 155.9 38.83 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.567 ' O ' HG21 ' B' ' 21' ' ' THR . 0.1 OUTLIER -59.88 -33.11 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.343 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -54.06 -38.66 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.788 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.06 -40.16 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.638 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' B' ' 18' ' ' VAL . 9.2 mp -58.71 -36.72 74.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.734 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -54.81 -33.01 61.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.796 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 6' ' ' LEU . 74.3 mt -71.18 -35.83 71.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.761 -0.2 . . . . 0.0 111.432 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t -71.75 -24.6 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.619 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.506 -0.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.458 ' HD2' ' OD1' ' A' ' 13' ' ' ASP . 4.1 tpm_? . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.777 0.322 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.4 63.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.302 0.572 . . . . 0.0 110.134 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.18 142.22 87.04 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.523 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.53 -45.66 39.42 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.125 2.55 . . . . 0.0 112.724 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' SER . 49.5 p90 -128.13 164.08 23.25 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.08 132.59 2.71 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.237 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.83 145.0 10.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -75.74 113.74 13.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.048 0.451 . . . . 0.0 110.477 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.852 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 51.5 mt -126.54 137.28 53.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.435 -0.802 . . . . 0.0 108.963 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 30.9 m -133.09 136.27 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.1 -121.6 6.32 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.088 -0.96 . . . . 0.0 114.915 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -55.24 -44.29 75.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.801 -0.7 . . . . 0.0 112.307 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -63.85 -38.89 92.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.897 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.852 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 5.7 t80 -60.27 -51.02 71.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.561 177.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.528 ' O ' HG12 ' B' ' 19' ' ' ILE . 74.7 mt -63.26 -40.94 90.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.607 ' NH2' HG13 ' B' ' 19' ' ' ILE . 5.3 mmp_? -62.8 -38.66 91.57 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.208 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.49 -37.95 88.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.32 179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.809 HG22 HD22 ' A' ' 20' ' ' LEU . 94.4 t -62.81 -40.44 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.607 HG13 ' NH2' ' B' ' 16' ' ' ARG . 15.5 mm -69.35 -35.49 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.119 178.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.07 -43.22 81.87 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -72.93 -37.2 67.26 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.416 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 3.3 t -64.19 -37.07 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.169 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.44 -5.63 35.62 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.351 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' B' ' 27' ' ' TRP . . . 61.94 36.77 93.32 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.421 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.04 30.24 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 63.8 ttp180 -173.82 -35.19 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.156 0.503 . . . . 0.0 110.467 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.439 ' O ' ' HA2' ' B' ' 24' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 116.983 -1.484 . . . . 0.0 108.722 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.766 ' O ' ' HB ' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.217 -0.624 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.814 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . 32.8 p-10 -68.67 -30.59 69.3 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.088 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 15' ' ' CYS . 36.2 tp -66.92 -58.41 5.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.701 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' HG3' ' CZ ' ' B' ' 14' ' ' PHE . 7.5 tt0 -89.58 -59.68 2.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.368 0.604 . . . . 0.0 111.801 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.766 ' HB ' ' O ' ' A' ' 4' ' ' PCA . 75.7 m -57.97 -54.56 45.51 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.814 ' HB2' ' HA ' ' A' ' 5' ' ' ASP . 96.9 mt -93.52 22.6 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -177.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 42.2 t -69.3 -30.71 68.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.277 -0.969 . . . . 0.0 109.43 178.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -83.86 31.21 0.49 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.499 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -159.71 -57.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.323 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' OD1' ' HD2' ' B' ' 1' ' ' ARG . 44.9 t0 -88.96 -36.91 15.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.575 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.26 128.72 6.18 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.951 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.613 ' HB2' HD12 ' A' ' 6' ' ' LEU . 9.7 p -100.65 145.81 27.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.965 0.412 . . . . 0.0 110.998 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 35.8 t -82.53 146.93 28.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.046 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.48 -40.01 93.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 p -61.25 -42.38 98.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.465 0.65 . . . . 0.0 111.018 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.521 ' OD1' ' HB3' ' A' ' 16' ' ' SER . 1.0 OUTLIER -67.11 -32.59 73.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.556 -179.116 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.809 HD22 HG22 ' B' ' 18' ' ' VAL . 80.3 mt -56.81 -32.66 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.709 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -52.49 -40.63 62.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.442 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -36.43 80.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.652 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' A' ' 6' ' ' LEU . 85.6 mt -63.46 -35.88 81.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.497 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.8 t -71.5 -29.77 65.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.089 0.471 . . . . 0.0 110.429 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.336 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.647 ' HA ' ' OD2' ' A' ' 19' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 121.167 0.508 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.13 -41.45 18.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.823 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 16' ' ' SER . . . -83.73 137.13 41.37 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.047 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.19 -46.63 14.7 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 111.852 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.602 ' HE1' ' H ' ' A' ' 17' ' ' MET . 27.7 p90 -62.27 147.42 48.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.571 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.34 139.61 6.05 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.693 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 p -117.27 136.51 54.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.912 0.387 . . . . 0.0 110.222 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.83 125.53 26.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.411 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.68 ' HB3' ' HA ' ' B' ' 14' ' ' PHE . 22.2 mt -134.39 137.7 44.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.78 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 78.8 m -140.77 139.08 34.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.823 0.345 . . . . 0.0 111.359 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.24 -126.71 34.51 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.478 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.883 ' H ' ' HD3' ' B' ' 12' ' ' ARG . 0.2 OUTLIER -55.88 -40.5 73.04 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.161 0.585 . . . . 0.0 111.141 -179.007 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -59.19 -42.43 90.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.595 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.68 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 25.2 t80 -61.1 -49.99 75.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.841 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.531 HG23 ' CE3' ' B' ' 27' ' ' TRP . 1.7 mp -59.4 -44.78 93.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.801 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -65.32 -37.96 88.7 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.506 ' HB3' HD13 ' B' ' 9' ' ' LEU . . . -65.41 -37.68 87.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 20' ' ' LEU . 87.9 t -65.82 -41.91 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.527 HG13 ' OXT' ' B' ' 27' ' ' TRP . 19.4 mm -69.47 -36.08 69.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.062 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.56 -39.72 73.93 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 87.0 m -63.34 -38.39 90.98 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.342 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 7.1 m -83.64 -5.22 59.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.408 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.61 -42.53 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 121.316 -0.469 . . . . 0.0 112.102 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.18 147.62 8.09 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.518 ' HB3' HD12 ' B' ' 19' ' ' ILE . 9.1 t -157.49 -156.67 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 117.102 0.451 . . . . 0.0 110.459 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.563 ' O ' ' HD2' ' B' ' 26' ' ' ARG . 5.6 tmm_? -85.12 -37.79 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.223 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' TRP . . . . . 0.531 ' CE3' HG23 ' B' ' 15' ' ' ILE . 2.1 p-90 . . . . . 0 C--O 1.25 1.092 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.341 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PCA . . . . . 0.769 ' N ' ' HG1' ' A' ' 8' ' ' THR . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.71 0.291 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -73.34 62.52 0.71 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.769 1.271 . . . . 0.0 109.512 178.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 tp -179.87 -78.34 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.971 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.408 ' HG3' ' CE2' ' B' ' 14' ' ' PHE . 8.0 tt0 -65.05 -48.87 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.298 0.57 . . . . 0.0 110.79 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.769 ' HG1' ' N ' ' A' ' 4' ' ' PCA . 23.6 m -57.9 -43.58 86.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.003 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 13' ' ' ASP . 3.9 pp -93.35 13.89 20.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' B' ' 9' ' ' LEU . 0.5 OUTLIER -65.25 -44.69 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.598 -179.639 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -88.16 38.38 0.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.948 0.404 . . . . 0.0 110.662 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -155.36 -54.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.796 0.331 . . . . 0.0 110.63 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.564 ' HB3' HD13 ' A' ' 9' ' ' LEU . 57.9 t0 -104.44 -71.9 0.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.61 142.17 3.43 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.632 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.595 ' HB3' HD21 ' A' ' 20' ' ' LEU . 68.0 m -89.82 135.81 33.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.938 0.399 . . . . 0.0 110.567 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.619 ' HB3' ' HB3' ' B' ' 3' ' ' ALA . 2.8 m -85.98 137.46 32.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.782 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.602 ' H ' ' HE1' ' B' ' 5' ' ' TYR . 56.8 ttp -56.9 -44.4 82.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.271 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -60.39 -42.1 95.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.221 0.534 . . . . 0.0 111.188 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.647 ' OD2' ' HA ' ' B' ' 1' ' ' ARG . 1.3 m-20 -67.06 -35.08 79.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.78 HD22 HG22 ' B' ' 18' ' ' VAL . 84.8 mt -59.49 -30.64 68.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.36 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 -36.83 67.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.24 -37.12 83.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.338 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.6 -37.4 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.703 ' HB2' HG12 ' B' ' 18' ' ' VAL . 32.6 t -72.87 -29.79 63.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.759 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.446 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_