data_2kyg_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 2kyg _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 ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 113.408 0.892 . . . . 0.01 113.408 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.7 mm -46.26 104.65 0.41 Allowed Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.364 -0.236 . . . . 0.01 110.364 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.22 154.17 19.41 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.06 1.84 . . . . 0.01 112.465 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.13 156.44 17.39 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.456 2.104 . . . . 0.01 112.211 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.04 -21.57 7.86 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.843 -0.694 . . . . 0.01 113.372 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -29.26 66.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.016 0.408 . . . . 0.01 110.789 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -47.57 69.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.01 111.859 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.44 -31.19 70.33 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.0 -0.28 . . . . 0.01 111.52 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.17 -46.17 71.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.636 0.255 . . . . 0.01 111.452 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 mt -73.43 -32.15 64.23 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.555 -0.293 . . . . 0.01 111.086 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -47.23 84.99 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.873 0.368 . . . . 0.01 110.333 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.51 -48.09 55.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.864 -0.684 . . . . 0.01 111.88 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 49.7 t80 -70.43 -49.12 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.054 0.454 . . . . 0.01 110.635 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -57.18 -59.88 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.752 -0.658 . . . . 0.01 112.105 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.12 -29.53 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.926 0.343 . . . . 0.01 111.926 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -77.48 -33.04 54.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.622 0.249 . . . . 0.01 111.419 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -62.34 -39.28 83.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.564 -0.289 . . . . 0.01 111.537 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.67 -47.57 25.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.01 111.192 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -50.62 -36.06 33.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.01 111.956 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -107.63 -29.39 9.18 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.687 0.255 . . . . 0.01 111.687 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' VAL . 7.4 mt-30 56.31 71.24 1.23 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.01 110.679 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.65 165.25 27.21 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.766 2.31 . . . . 0.01 112.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -88.56 -16.24 2.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.695 2.263 . . . . 0.01 113.694 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -132.28 140.58 48.67 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 121.21 0.529 . . . . 0.01 111.617 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -92.39 -43.84 9.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.01 110.55 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.34 -45.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.01 110.511 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.12 -55.87 7.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.01 110.266 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 66.3 t80 -54.85 -25.6 29.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.01 111.203 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -73.32 -52.1 15.12 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 111.935 0.346 . . . . 0.01 111.935 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' A' ' 37' ' ' THR . 9.0 p -70.29 -29.16 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.333 -0.617 . . . . 0.01 109.333 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.61 -38.53 73.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.86 0.362 . . . . 0.01 110.484 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -78.69 -44.34 23.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.487 0.551 . . . . 0.01 112.487 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.13 -51.09 26.96 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.537 0.569 . . . . 0.01 112.537 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 68.6 p -55.47 -51.99 65.1 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.628 -0.429 . . . . 0.01 111.222 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -53.32 -50.56 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.01 110.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.39 -52.94 19.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.345 -0.389 . . . . 0.01 110.645 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.01 111.226 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo . . . . . 0 CA--C 1.529 0.256 0 CA-C-O 120.98 0.325 . . . . 0.01 112.779 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.8 15.68 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.017 -0.611 . . . . 0.01 112.423 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.675 0.274 . . . . 0.01 110.663 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -55.56 -47.06 76.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.98 0.419 . . . . 0.01 110.843 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -67.26 -39.23 86.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.01 111.733 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.24 -51.83 67.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.5 0.19 . . . . 0.01 110.918 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.15 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.45 -0.574 . . . . 0.01 109.45 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.68 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.01 110.878 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.72 43.09 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.01 -0.614 . . . . 0.01 112.674 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -80.62 -47.56 13.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.01 111.302 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -54.7 -47.72 73.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.01 111.981 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -51.46 -31.4 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.133 0.492 . . . . 0.01 111.023 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.439 ' OE1' ' CE2' ' B' ' 31' ' ' PHE . 18.1 tt0 -76.01 -42.07 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.01 110.475 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' GLN . 48.8 t -60.09 -47.38 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.01 110.876 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.42 -49.4 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.01 112.067 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -84.77 -22.81 29.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.027 0.751 . . . . 0.01 113.027 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -97.4 -45.42 6.46 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.949 0.404 . . . . 0.01 111.181 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 20' ' ' VAL . 41.3 mm-40 57.7 85.98 0.17 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.01 110.659 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.49 169.04 5.96 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.103 2.535 . . . . 0.01 112.731 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.98 -37.56 6.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.269 1.979 . . . . 0.01 111.559 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -133.01 134.07 43.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.127 -0.488 . . . . 0.01 110.591 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -73.13 -44.18 60.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.01 111.077 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 10.1 p -63.12 -44.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.01 111.664 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.94 -33.9 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.756 0.312 . . . . 0.01 110.898 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . 0.439 ' CE2' ' OE1' ' B' ' 19' ' ' GLU . 39.9 t80 -72.24 -29.19 63.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.568 -0.287 . . . . 0.01 110.896 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.87 -52.55 8.7 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.389 -0.368 . . . . 0.01 111.549 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 m -45.99 -43.92 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.01 111.513 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -72.99 -35.63 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.01 111.079 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.72 -39.15 90.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.01 111.295 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -77.51 -34.54 54.02 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.713 0.264 . . . . 0.01 111.713 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.3 p -66.92 -43.2 83.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.111 0.482 . . . . 0.01 110.046 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -60.9 -39.99 91.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.01 110.422 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.05 -55.9 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.01 111.155 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.479 -0.328 . . . . 0.01 111.459 -179.383 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 111.845 0.313 . . . . 0.01 111.845 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -51.22 -24.73 4.62 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.925 0.343 . . . . 0.01 111.925 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.47 -28.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.01 110.313 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -80.22 -48.49 13.02 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 112.009 0.374 . . . . 0.01 112.009 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -57.31 -44.86 84.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.884 -0.413 . . . . 0.01 109.884 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -64.63 -59.46 4.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.344 . . . . 0.01 111.631 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.74 13.64 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.601 0.593 . . . . 0.01 112.601 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.75 -35.88 81.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.549 0.214 . . . . 0.01 110.806 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.77 -46.2 79.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.268 -0.271 . . . . 0.01 110.268 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.362 0.504 . . . . 0.01 112.362 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 38.2 t -69.64 -38.08 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.01 112.063 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -65.58 -37.99 88.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.917 0.389 . . . . 0.01 110.052 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.1 -57.17 7.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 0.01 110.927 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.17 -26.92 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 112.098 0.406 . . . . 0.01 112.098 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -72.53 -47.58 47.21 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.512 -0.313 . . . . 0.01 110.186 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -67.77 -24.92 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 0.01 110.481 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -59.37 2.77 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.101 0.408 . . . . 0.01 112.101 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.64 -31.45 2.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.945 -0.472 . . . . 0.01 111.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -31.85 71.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.028 -0.533 . . . . 0.01 110.289 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 2.8 m -67.73 -41.07 84.04 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.681 -0.488 . . . . 0.01 109.681 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.29 -23.83 57.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.01 109.941 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 61.9 mt -86.84 -47.51 8.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.58 -0.736 . . . . 0.01 110.787 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.01 111.231 -179.692 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 120.708 0.289 . . . . 0.01 111.246 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.3 mm -43.21 102.39 0.28 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.587 -0.278 . . . . 0.01 111.082 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.6 108.25 0.18 Allowed 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.486 2.124 . . . . 0.01 112.824 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.99 150.87 6.26 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.238 1.959 . . . . 0.01 112.331 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.1 -24.9 5.75 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.788 -0.72 . . . . 0.01 113.367 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.09 -32.97 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.179 0.49 . . . . 0.01 110.559 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.01 110.646 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.78 -28.04 68.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.407 . . . . 0.01 111.19 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.35 -41.83 65.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.708 0.29 . . . . 0.01 111.303 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -75.18 -28.56 60.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 0.01 111.033 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -47.12 81.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.01 110.74 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.22 60.51 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.454 -0.879 . . . . 0.01 111.349 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 54.5 t80 -75.34 -50.64 15.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.903 0.382 . . . . 0.01 110.926 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -51.77 -59.95 3.72 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.096 -0.502 . . . . 0.01 111.694 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.44 -32.06 16.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.01 110.949 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -52.87 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.242 -0.436 . . . . 0.01 111.201 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -48.0 -37.82 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.01 111.198 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.62 -52.22 11.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.01 112.297 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -22.96 63.41 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.498 0.555 . . . . 0.01 112.498 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -98.83 -34.56 10.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.884 0.373 . . . . 0.01 111.215 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 57.06 73.57 0.77 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.01 110.723 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.82 163.28 16.07 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 0.01 112.444 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.16 -31.1 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.547 2.165 . . . . 0.01 112.569 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.24 139.84 48.44 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.091 0.472 . . . . 0.01 110.98 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.02 -28.8 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.01 110.931 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.17 -56.32 9.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.887 0.375 . . . . 0.01 111.194 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.16 92.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.01 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.23 -25.06 66.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.01 111.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -70.55 -43.16 70.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.664 -0.244 . . . . 0.01 111.637 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -55.5 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.164 -0.68 . . . . 0.01 109.164 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.25 -37.0 15.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.72 0.295 . . . . 0.01 111.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -78.65 -50.89 10.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.357 0.503 . . . . 0.01 112.357 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 6.4 m-85 -67.0 -38.05 85.31 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 111.722 0.267 . . . . 0.01 111.722 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.2 p -63.23 -51.31 66.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.01 110.953 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -57.62 -48.84 78.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.01 111.08 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.37 -56.01 9.25 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.385 -0.371 . . . . 0.01 110.928 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.01 111.181 179.838 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 CA--C 1.532 0.409 0 N-CA-C 112.839 0.284 . . . . 0.01 112.839 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -27.95 16.26 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 121.034 -0.603 . . . . 0.01 112.897 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -50.56 -47.54 57.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.53 0.205 . . . . 0.01 111.223 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -54.66 -48.88 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.01 111.422 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -54.89 -53.65 52.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.01 111.768 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -50.49 -57.61 7.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.614 -0.266 . . . . 0.01 111.374 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.6 -23.85 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.01 110.38 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -43.68 74.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 0.01 110.747 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.55 -34.28 80.7 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.917 -0.659 . . . . 0.01 113.114 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -78.26 -49.5 13.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.52 0.2 . . . . 0.01 111.45 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -52.84 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.01 111.326 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 m -47.97 -36.57 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.965 0.412 . . . . 0.01 111.944 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -79.09 -52.62 7.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.01 110.834 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 24' ' ' GLN . 96.5 t -48.38 -54.41 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.01 110.634 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.1 -41.09 82.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.01 110.952 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -71.83 -25.68 62.07 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.756 0.65 . . . . 0.01 112.756 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -104.45 -45.01 4.77 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.797 0.332 . . . . 0.01 111.708 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' B' ' 20' ' ' VAL . 36.4 mm-40 61.65 79.34 0.28 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.104 -0.498 . . . . 0.01 110.295 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -82.33 167.69 15.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.61 2.207 . . . . 0.01 112.776 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.55 -35.04 18.26 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.421 2.08 . . . . 0.01 111.805 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -132.45 131.96 42.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.987 -0.551 . . . . 0.01 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.49 -36.73 74.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.01 110.721 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.59 -52.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.01 111.076 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.07 -42.55 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.01 111.169 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -72.0 -26.14 62.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.456 -0.338 . . . . 0.01 111.225 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.21 -44.72 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.01 111.927 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -35.71 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.01 111.833 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -77.9 -40.22 40.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.841 0.353 . . . . 0.01 111.388 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -60.03 -52.86 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 0.01 110.965 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 26.4 m-85 -62.94 -46.89 85.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.259 -0.176 . . . . 0.01 111.415 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -58.51 -37.17 75.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.994 0.426 . . . . 0.01 110.007 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.52 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.614 . . . . 0.01 109.731 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -52.39 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.01 110.549 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.01 111.009 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 113.888 1.07 . . . . 0.01 113.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -48.15 -23.46 0.86 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.583 0.957 . . . . 0.01 113.583 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -26.1 11.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.114 -0.366 . . . . 0.01 111.07 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -73.04 -47.62 43.24 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.67 -0.241 . . . . 0.01 111.08 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -57.4 -43.15 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.01 108.729 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -66.99 -56.89 8.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.211 -0.449 . . . . 0.01 111.18 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.28 -38.05 17.85 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 120.983 0.42 . . . . 0.01 110.74 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.23 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.792 -0.64 . . . . 0.01 110.698 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.2 -44.76 83.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.2 -0.296 . . . . 0.01 110.2 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -55.25 -36.04 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 0.01 111.709 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 23.3 t -80.0 -45.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.089 0.403 . . . . 0.01 112.089 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.51 -37.58 87.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.778 0.323 . . . . 0.01 110.248 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -70.07 -57.26 5.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.31 -0.405 . . . . 0.01 111.438 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.62 -28.11 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 112.521 0.563 . . . . 0.01 112.521 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 17.8 ttpp -76.4 -47.01 24.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.916 -0.583 . . . . 0.01 111.382 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -63.32 -31.84 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.119 -0.491 . . . . 0.01 111.782 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -77.43 -48.33 17.46 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.519 0.563 . . . . 0.01 112.519 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.56 -31.81 3.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.385 0.539 . . . . 0.01 110.92 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 27.1 ttp -64.88 -36.65 85.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.543 -0.753 . . . . 0.01 110.123 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 69.3 m -67.25 -39.52 86.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.01 109.465 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.3 -26.8 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.712 -0.676 . . . . 0.01 109.724 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.6 -49.22 6.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.094 -0.957 . . . . 0.01 110.766 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.01 111.369 -179.668 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 N-CA-C 111.117 0.043 . . . . 0.01 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.4 mm -52.58 106.11 0.61 Allowed Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.907 -0.405 . . . . 0.01 109.907 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.4 138.29 70.21 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.09 1.86 . . . . 0.01 112.636 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -61.91 160.87 27.7 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.882 1.721 . . . . 0.01 112.048 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.3 -23.99 3.75 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.01 114.033 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -53.2 33.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.522 0.661 . . . . 0.01 110.915 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -45.11 61.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.01 111.352 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.38 -38.32 77.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 0.01 111.204 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.43 -43.47 66.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.407 . . . . 0.01 111.268 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -75.34 -31.91 60.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.01 111.188 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.84 -43.03 94.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.514 -0.312 . . . . 0.01 111.214 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.95 -41.63 77.56 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.551 -0.833 . . . . 0.01 111.816 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 48.0 t80 -70.64 -48.4 55.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.373 . . . . 0.01 111.12 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -55.67 -59.87 4.24 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.872 0.693 . . . . 0.01 112.872 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 m -48.98 -26.97 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 111.671 0.249 . . . . 0.01 111.671 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.02 -44.91 21.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.666 0.247 . . . . 0.01 111.666 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 t -57.57 -38.91 66.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.01 111.456 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 mt -74.41 -35.59 63.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.136 -0.484 . . . . 0.01 111.275 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.21 -23.1 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.288 0.477 . . . . 0.01 112.288 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -106.22 -41.98 5.19 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.653 0.263 . . . . 0.01 111.494 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 59.97 78.59 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.01 110.837 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -82.31 170.18 13.56 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.686 2.257 . . . . 0.01 112.396 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.42 -33.07 7.35 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.421 2.081 . . . . 0.01 112.254 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.86 153.21 51.54 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.248 0.547 . . . . 0.01 111.17 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.73 -42.6 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.309 -0.859 . . . . 0.01 110.813 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.58 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.01 111.523 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.28 -50.79 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.01 110.4 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -56.05 -25.21 44.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.817 -0.628 . . . . 0.01 111.527 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.83 -44.07 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.285 . . . . 0.01 111.141 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.98 -56.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.637 -0.875 . . . . 0.01 108.637 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -47.73 -35.44 9.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.737 0.273 . . . . 0.01 111.737 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.57 -55.62 5.06 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.902 0.704 . . . . 0.01 112.902 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -75.41 -38.13 60.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.139 0.422 . . . . 0.01 112.139 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -66.26 -43.31 86.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.01 111.54 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -77.53 -25.78 50.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.01 110.767 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 tp -59.44 -55.17 37.99 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.388 -0.369 . . . . 0.01 110.299 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.904 0.383 . . . . 0.01 110.977 179.291 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.46 -0.456 0 CA-C-O 120.759 0.233 . . . . 0.01 112.126 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.45 -28.94 3.08 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.957 -0.639 . . . . 0.01 112.866 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.63 -47.18 82.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.836 0.31 . . . . 0.01 111.836 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.1 m -54.49 -48.14 72.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.873 -0.331 . . . . 0.01 111.882 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.32 -29.86 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.631 -0.259 . . . . 0.01 111.519 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.25 -57.47 8.38 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.399 -0.223 . . . . 0.01 110.399 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.78 -35.16 68.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.539 -0.541 . . . . 0.01 109.539 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -68.19 -44.16 76.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.715 -0.675 . . . . 0.01 110.995 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.88 -35.92 49.02 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.94 -0.647 . . . . 0.01 112.629 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -80.06 -46.77 15.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.379 . . . . 0.01 111.059 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m -55.8 -49.73 72.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 0.01 112.331 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 m -51.88 -33.01 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 121.198 0.523 . . . . 0.01 111.397 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.74 -38.6 53.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.507 -0.77 . . . . 0.01 110.678 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' B' ' 24' ' ' GLN . 77.7 t -60.91 -50.68 79.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.01 110.747 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.257 -0.429 . . . . 0.01 111.013 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -74.2 -23.36 59.19 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.97 0.73 . . . . 0.01 112.97 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -109.98 -52.34 2.78 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.686 0.279 . . . . 0.01 111.651 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' B' ' 20' ' ' VAL . 48.1 mt-30 64.28 83.64 0.19 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.186 -0.461 . . . . 0.01 110.6 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -86.61 173.59 6.21 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.847 2.365 . . . . 0.01 112.781 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.13 -28.36 9.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.653 2.235 . . . . 0.01 112.375 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -132.21 135.46 46.33 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.026 0.441 . . . . 0.01 110.893 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -78.59 -41.58 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.01 111.17 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.36 -46.94 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.01 111.389 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.21 -56.37 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.01 111.206 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.49 -25.72 38.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.212 -0.449 . . . . 0.01 111.098 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.98 -48.02 17.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.01 111.842 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.9 -55.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.01 110.821 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.54 -39.98 81.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.849 -0.614 . . . . 0.01 111.209 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.28 -60.33 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.01 111.201 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.402 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 39.1 m-85 -59.53 -42.99 93.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.537 0.208 . . . . 0.01 111.51 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -57.49 -31.27 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.01 110.623 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -76.89 -36.74 56.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.014 -0.539 . . . . 0.01 110.588 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -56.1 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.01 111.56 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.01 111.845 -179.61 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 . . . . . 0 N--CA 1.466 0.34 0 N-CA-C 113.309 0.855 . . . . 0.01 113.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -49.08 -26.46 2.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.01 111.982 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 2.0 mm -73.34 -26.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.01 110.225 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . 0.432 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 58.8 t-105 -78.59 -47.9 16.23 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.398 -0.364 . . . . 0.01 111.271 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -45.12 81.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.196 -0.668 . . . . 0.01 109.196 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.05 -57.88 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.01 111.771 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -40.71 28.77 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 120.866 0.365 . . . . 0.01 111.567 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.15 -34.73 76.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.093 -0.503 . . . . 0.01 110.486 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -64.47 -45.35 87.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.01 110.264 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.56 -43.92 72.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.01 112.044 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.7 -44.63 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.365 0.505 . . . . 0.01 112.365 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -61.81 -34.78 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.01 110.582 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -74.02 -53.41 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.237 -0.438 . . . . 0.01 111.372 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.35 -29.71 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 113.185 0.809 . . . . 0.01 113.185 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -44.9 40.25 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.99 -0.374 . . . . 0.01 109.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -63.86 -23.79 67.49 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.339 -0.615 . . . . 0.01 109.339 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.48 -55.25 5.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.097 -0.501 . . . . 0.01 111.921 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.05 -33.95 2.32 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.483 0.549 . . . . 0.01 112.483 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -27.51 62.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.03 -0.532 . . . . 0.01 110.588 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 14.4 m -74.28 -42.07 60.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.01 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.58 -32.69 70.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.19 -0.459 . . . . 0.01 111.323 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 4.2 pp -89.35 -24.58 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.115 -0.493 . . . . 0.01 111.611 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.419 -0.355 . . . . 0.01 111.036 179.666 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 C--O 1.231 0.101 0 N-CA-C 111.341 0.126 . . . . 0.01 111.341 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.7 mm -39.29 100.69 0.22 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 120.591 0.234 . . . . 0.01 110.721 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.09 111.32 0.46 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.606 2.204 . . . . 0.01 113.144 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.42 144.33 24.7 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.038 1.825 . . . . 0.01 112.084 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.25 -26.46 7.84 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.71 -0.757 . . . . 0.01 113.262 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.83 -42.91 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 0.01 110.62 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.4 m -57.39 -42.34 82.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 0.01 111.642 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -29.69 70.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.594 -0.275 . . . . 0.01 111.09 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.59 -43.48 63.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.01 111.01 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.25 -40.49 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.01 111.068 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.58 -42.32 74.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.01 111.078 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.15 -49.41 59.66 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.867 -0.683 . . . . 0.01 112.306 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.39 -42.19 96.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.525 -0.546 . . . . 0.01 109.525 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -55.17 -59.58 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.01 112.159 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 m -55.39 -33.38 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.416 -0.357 . . . . 0.01 111.742 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.6 -45.51 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.729 0.299 . . . . 0.01 110.797 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.67 -34.03 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.263 0.554 . . . . 0.01 109.974 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mp -74.56 -37.43 62.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.56 -0.745 . . . . 0.01 110.468 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -85.46 -23.04 27.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.267 -0.424 . . . . 0.01 111.928 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -51.8 2.83 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.66 0.244 . . . . 0.01 111.66 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 65.57 91.57 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.397 -0.365 . . . . 0.01 110.658 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.47 173.81 2.12 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.112 2.541 . . . . 0.01 112.724 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -74.47 -31.03 7.53 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.443 2.095 . . . . 0.01 111.986 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -132.61 137.05 46.91 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.037 0.446 . . . . 0.01 110.836 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.96 -53.03 7.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 0.01 111.01 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -55.26 -38.77 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.01 110.869 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -53.56 28.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.843 -0.617 . . . . 0.01 110.479 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -58.42 -28.42 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.01 111.607 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.37 -42.03 88.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.541 -0.299 . . . . 0.01 111.166 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.521 ' O ' ' OG1' ' A' ' 37' ' ' THR . 0.2 OUTLIER -66.82 -59.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.993 -1.114 . . . . 0.01 107.993 177.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -49.34 -32.59 11.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.849 0.357 . . . . 0.01 110.945 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -78.77 -49.03 13.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.263 0.468 . . . . 0.01 112.263 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -73.22 -50.76 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.394 0.516 . . . . 0.01 112.394 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -55.38 -48.64 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.579 0.228 . . . . 0.01 111.589 -178.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.685 0.254 . . . . 0.01 111.685 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.48 -55.06 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.01 110.81 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.01 111.416 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 CA--C 1.53 0.296 0 N-CA-C 112.902 0.308 . . . . 0.01 112.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.1 -36.66 3.59 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.908 -0.663 . . . . 0.01 112.866 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.08 -45.37 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.65 0.262 . . . . 0.01 111.005 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.9 m -54.88 -45.83 74.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.895 0.378 . . . . 0.01 110.822 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -62.77 -33.05 74.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.891 -0.595 . . . . 0.01 111.756 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.93 -47.78 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.578 0.227 . . . . 0.01 111.295 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.95 -53.53 48.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.721 -0.218 . . . . 0.01 111.54 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.401 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -57.88 -31.12 66.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.612 -0.435 . . . . 0.01 110.997 -179.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.8 -35.46 82.32 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.594 -0.812 . . . . 0.01 111.675 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -79.7 -42.64 24.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.013 0.435 . . . . 0.01 109.934 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -56.16 -45.21 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.644 . . . . 0.01 111.855 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -54.97 -28.68 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.841 0.353 . . . . 0.01 111.35 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -79.12 -47.54 15.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.168 -0.469 . . . . 0.01 110.588 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' B' ' 24' ' ' GLN . 29.4 t -52.95 -47.36 53.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.183 0.516 . . . . 0.01 110.145 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.98 -42.92 91.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.01 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.46 -23.22 40.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.296 0.85 . . . . 0.01 113.296 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -107.59 -50.41 3.07 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.008 0.373 . . . . 0.01 112.008 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 63.28 76.83 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.302 -0.408 . . . . 0.01 109.941 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -80.23 170.46 16.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.687 2.258 . . . . 0.01 112.766 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -71.47 -32.93 11.6 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.499 2.132 . . . . 0.01 112.091 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.53 136.8 46.87 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.114 0.483 . . . . 0.01 110.717 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 mt -72.32 -40.41 67.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.63 -0.713 . . . . 0.01 111.137 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.71 -56.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.01 111.068 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -48.87 23.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.894 0.378 . . . . 0.01 110.773 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -69.06 -25.43 64.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.01 111.583 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.79 -46.21 22.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.722 0.296 . . . . 0.01 111.72 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.543 ' O ' ' OG1' ' B' ' 37' ' ' THR . 0.0 OUTLIER -54.96 -59.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.01 109.92 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.93 -35.48 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.01 111.403 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -68.8 -52.76 26.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.544 -0.298 . . . . 0.01 111.471 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.71 -45.67 28.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.567 0.222 . . . . 0.01 111.548 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.543 ' OG1' ' O ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER -60.73 -27.29 67.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.642 -0.254 . . . . 0.01 111.239 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -75.45 -36.35 60.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.963 0.411 . . . . 0.01 109.939 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.06 -48.58 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.01 110.248 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.796 -0.638 . . . . 0.01 111.11 179.646 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 114.439 1.274 . . . . 0.01 114.439 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -45.19 -29.62 0.99 Allowed 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.924 0.713 . . . . 0.01 112.924 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 23.7 mm -74.64 -27.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.747 -0.206 . . . . 0.01 111.25 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . 0.401 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 64.7 t-105 -79.85 -47.36 15.26 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.01 111.263 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -56.05 -44.74 79.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.51 -0.552 . . . . 0.01 109.51 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -66.13 -58.17 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.01 111.615 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.52 20.49 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.819 0.342 . . . . 0.01 111.7 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.9 -39.74 79.57 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.196 -0.456 . . . . 0.01 111.424 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.91 -44.09 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.241 -0.281 . . . . 0.01 110.241 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.03 -55.02 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.998 0.37 . . . . 0.01 111.998 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.73 -39.04 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.01 112.503 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.77 -37.93 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.778 -0.823 . . . . 0.01 108.778 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.89 -51.77 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.01 110.591 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 1.4 m -59.81 -28.1 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.489 . . . . 0.01 111.719 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -76.03 -49.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 0.01 110.838 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.394 -0.367 . . . . 0.01 110.572 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . 0.501 ' O ' ' OG1' ' C' ' 610' ' ' THR . 13.9 mt-30 -79.4 -54.94 5.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.103 -0.499 . . . . 0.01 112.006 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.42 -33.23 3.76 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.192 0.52 . . . . 0.01 111.546 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 4.0 mtm -69.57 -34.24 73.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.674 . . . . 0.01 111.048 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 610' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -65.67 -35.81 81.86 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.975 -0.75 . . . . 0.01 108.975 178.546 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.17 -24.86 67.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.367 0.603 . . . . 0.01 109.494 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.63 -51.43 5.53 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.129 -0.942 . . . . 0.01 110.867 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.01 111.219 -179.575 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.231 0.085 0 N-CA-C 111.549 0.203 . . . . 0.01 111.549 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.9 mm -39.23 99.23 0.19 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.022 0.202 . . . . 0.01 111.118 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.85 112.03 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.394 2.063 . . . . 0.01 112.502 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -45.82 157.12 0.37 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.206 1.937 . . . . 0.01 112.321 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.7 -20.7 17.64 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.874 -0.679 . . . . 0.01 112.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.33 -32.84 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.927 0.394 . . . . 0.01 110.645 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.51 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.01 110.937 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -65.57 -34.15 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.01 111.76 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -44.58 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.823 0.344 . . . . 0.01 111.385 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.93 -28.02 61.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.01 110.842 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.7 -44.54 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 0.01 110.578 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.71 -46.38 82.63 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.567 -0.825 . . . . 0.01 111.656 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -71.06 -47.22 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.01 110.064 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.6 m -58.43 -60.52 3.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.935 -0.575 . . . . 0.01 112.123 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.62 -26.31 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.693 0.282 . . . . 0.01 111.571 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -79.0 -41.43 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.01 111.126 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -39.2 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 0.01 110.747 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.402 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 1.1 mt -75.88 -49.04 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.01 111.242 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -63.02 -23.3 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.157 0.428 . . . . 0.01 112.157 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -37.09 5.98 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.689 0.255 . . . . 0.01 111.689 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 19.2 mm-40 59.16 74.55 0.58 Allowed Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.01 109.818 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.39 166.06 14.17 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.965 2.443 . . . . 0.01 113.264 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.04 -31.31 3.06 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.734 2.29 . . . . 0.01 112.672 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.23 145.22 51.18 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.288 0.566 . . . . 0.01 110.77 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -86.64 -47.96 8.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.822 . . . . 0.01 110.966 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 p -52.92 -40.59 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.01 111.18 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -73.84 -56.18 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.01 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -49.66 -27.69 4.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.01 111.96 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.6 -43.75 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.603 -0.271 . . . . 0.01 111.581 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -28.82 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.645 -0.872 . . . . 0.01 108.645 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.55 -36.97 71.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.01 109.977 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -79.15 -47.0 16.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.932 -0.576 . . . . 0.01 112.364 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.43 -51.14 60.1 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 111.812 0.301 . . . . 0.01 111.812 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.4 p -52.63 -52.73 54.24 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.865 -0.334 . . . . 0.01 110.919 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -56.06 15.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.01 110.22 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.58 -51.83 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.92 -0.582 . . . . 0.01 110.346 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 0.01 111.165 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo . . . . . 0 CA--C 1.529 0.268 0 CA-C-O 121.017 0.341 . . . . 0.01 112.921 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -30.32 6.77 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.992 -0.623 . . . . 0.01 112.826 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.21 -42.63 77.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.596 0.236 . . . . 0.01 110.967 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -52.48 -39.98 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.01 110.675 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.29 -44.93 78.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.01 111.219 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.88 -52.76 59.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.708 -0.223 . . . . 0.01 110.779 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.59 -37.54 81.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.746 -0.464 . . . . 0.01 109.746 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.416 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 1.8 tt0 -66.14 -45.65 80.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.958 -0.565 . . . . 0.01 110.875 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.12 -36.54 52.32 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.184 -0.532 . . . . 0.01 112.656 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -79.69 -45.35 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.01 110.84 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.542 ' O ' HG13 ' B' ' 20' ' ' VAL . 2.0 m -61.74 -29.41 70.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.399 0.518 . . . . 0.01 112.399 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.4 -28.37 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.204 -0.599 . . . . 0.01 110.286 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -79.25 -47.62 15.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.78 -0.645 . . . . 0.01 110.902 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.542 HG13 ' O ' ' B' ' 17' ' ' THR . 5.9 p -53.05 -44.12 49.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.9 0.381 . . . . 0.01 110.678 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -49.21 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.01 110.668 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -69.99 -23.47 63.15 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.987 0.736 . . . . 0.01 112.987 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -101.57 -45.83 5.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.89 0.376 . . . . 0.01 111.738 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 64.21 71.17 0.6 Allowed Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.839 -0.619 . . . . 0.01 110.62 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -83.51 163.86 14.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.055 2.503 . . . . 0.01 112.392 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -76.54 -26.64 8.35 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.511 2.14 . . . . 0.01 113.118 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -132.42 136.91 47.07 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.086 0.469 . . . . 0.01 111.167 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -83.3 -44.91 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.01 110.583 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.04 -39.42 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.01 111.022 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -71.47 -56.01 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.01 110.353 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.14 -28.82 55.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.995 -0.548 . . . . 0.01 111.141 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 -51.24 10.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.01 112.049 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -36.22 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.805 0.298 . . . . 0.01 111.805 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -77.87 -36.01 50.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.903 0.383 . . . . 0.01 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.37 -44.99 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.01 110.795 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.44 -41.95 75.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.22 -0.192 . . . . 0.01 111.492 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -60.61 -40.1 90.62 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.108 0.48 . . . . 0.01 110.082 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -58.5 -42.68 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.714 -0.675 . . . . 0.01 110.339 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.14 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.528 . . . . 0.01 110.85 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.01 111.511 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 113.558 0.947 . . . . 0.01 113.558 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -45.33 -28.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.729 0.64 . . . . 0.01 112.729 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 7.8 mm -73.61 -27.97 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 0.01 111.213 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . 0.416 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 56.6 t-105 -80.16 -47.22 15.05 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 0.01 112.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -60.2 -41.33 92.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.367 -0.533 . . . . 0.01 110.278 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -69.3 -58.14 4.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.973 -0.291 . . . . 0.01 111.734 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -33.65 10.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.779 0.323 . . . . 0.01 111.396 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.01 110.787 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.05 -46.31 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.715 0.293 . . . . 0.01 110.3 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -50.93 -41.79 59.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.032 0.382 . . . . 0.01 112.032 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.83 -39.37 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.92 0.341 . . . . 0.01 111.92 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -66.2 -41.72 89.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.01 110.314 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.73 -57.16 8.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 0.01 110.855 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.11 -26.57 40.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.955 0.407 . . . . 0.01 111.887 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -73.13 -49.45 28.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.01 109.982 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -65.32 -23.77 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.01 110.048 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -79.61 -59.24 2.82 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.461 0.541 . . . . 0.01 112.461 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.19 -30.83 2.12 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.3 0.481 . . . . 0.01 112.3 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -63.78 -33.1 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.277 -0.419 . . . . 0.01 110.388 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 6.3 m -67.55 -42.26 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.652 -0.499 . . . . 0.01 109.652 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.48 -25.06 61.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.352 0.596 . . . . 0.01 110.104 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.7 -38.13 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.01 111.151 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.01 112.1 -179.004 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 112.038 0.385 . . . . 0.01 112.038 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.51 115.84 28.29 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.527 -0.306 . . . . 0.01 110.301 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.63 144.4 15.66 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.126 1.884 . . . . 0.01 112.178 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -86.21 34.86 0.47 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.329 2.019 . . . . 0.01 113.403 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.05 -39.8 0.47 Allowed Glycine 0 CA--C 1.51 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.01 111.658 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.01 110.656 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -61.05 -44.32 97.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.01 110.812 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -28.81 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.01 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.14 -39.94 62.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.01 111.172 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.45 -35.87 65.81 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.174 -0.466 . . . . 0.01 111.267 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.7 -43.57 97.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.537 -0.301 . . . . 0.01 111.426 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.21 65.2 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.267 -0.968 . . . . 0.01 111.356 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -71.83 -48.76 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.046 0.45 . . . . 0.01 110.207 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -56.83 -59.77 4.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.798 -0.637 . . . . 0.01 112.326 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -53.78 -28.12 16.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.01 111.941 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -78.83 -41.02 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.941 -0.304 . . . . 0.01 111.079 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' GLN . 45.1 t -60.41 -37.43 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.936 0.398 . . . . 0.01 110.689 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.32 -35.26 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.01 110.317 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -82.62 -23.41 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.159 0.429 . . . . 0.01 112.159 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -114.87 -49.55 2.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.098 0.407 . . . . 0.01 112.098 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.0 mt-30 66.17 92.79 0.06 OUTLIER Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.528 -0.305 . . . . 0.01 110.66 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -89.24 169.82 4.95 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.93 2.42 . . . . 0.01 112.553 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.25 -36.1 12.82 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.26 1.973 . . . . 0.01 111.75 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -132.8 133.8 43.85 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.044 -0.525 . . . . 0.01 110.779 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.16 -23.96 37.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.01 110.939 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 t -70.26 -50.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 0.01 111.034 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.82 -49.34 59.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.01 111.284 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -48.7 -25.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.01 111.978 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.26 -38.95 60.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.676 0.25 . . . . 0.01 111.676 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.62 -59.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.041 -0.726 . . . . 0.01 109.041 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.12 -30.71 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.594 -0.442 . . . . 0.01 110.947 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -78.62 -44.77 23.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.564 -0.289 . . . . 0.01 111.647 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.49 -41.69 46.2 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.989 -0.284 . . . . 0.01 111.329 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.0 p -58.5 -55.44 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.682 -0.236 . . . . 0.01 111.51 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -53.59 -36.23 61.71 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.945 0.402 . . . . 0.01 110.477 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.48 -52.38 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.01 109.855 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.634 . . . . 0.01 110.865 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 CA--C 1.531 0.357 0 N-CA-C 112.98 0.338 . . . . 0.01 112.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.11 -30.31 4.83 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.166 -0.54 . . . . 0.01 113.363 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.67 -42.75 68.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.569 0.223 . . . . 0.01 111.159 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.4 m -51.98 -40.9 61.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 0.01 111.385 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -74.16 -42.81 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.312 0.486 . . . . 0.01 112.312 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.46 -57.57 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.913 0.338 . . . . 0.01 111.913 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.75 -35.57 78.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.822 0.344 . . . . 0.01 110.274 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -63.74 -44.37 93.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.01 110.866 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -37.63 56.72 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.976 -0.631 . . . . 0.01 112.794 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 71.7 t80 -79.97 -47.18 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.01 111.306 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.7 m -55.73 -48.35 75.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.299 -0.409 . . . . 0.01 112.074 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.4 m -48.17 -25.95 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 111.828 0.307 . . . . 0.01 111.828 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.97 -40.98 30.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.4 -0.364 . . . . 0.01 111.465 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -43.28 90.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.821 0.343 . . . . 0.01 111.167 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.68 -53.4 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.397 -0.365 . . . . 0.01 111.522 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -79.01 -22.97 44.71 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.363 0.875 . . . . 0.01 113.363 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.87 -51.27 3.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.736 0.303 . . . . 0.01 111.246 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 63.98 65.25 1.19 Allowed Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.986 -0.552 . . . . 0.01 111.485 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.06 166.24 29.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.851 2.367 . . . . 0.01 112.221 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.03 -25.94 8.31 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.453 2.102 . . . . 0.01 113.175 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.36 134.0 44.66 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.097 0.475 . . . . 0.01 111.132 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mt -81.21 -50.52 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.01 111.077 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -58.96 -43.75 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 0.01 111.802 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -67.92 -56.5 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.01 110.936 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.41 -25.1 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.01 111.281 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.66 -38.29 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.248 0.462 . . . . 0.01 112.248 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.0 t -61.08 -51.63 70.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 0.01 110.74 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.44 -45.03 96.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.01 111.54 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.1 -60.32 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.01 111.418 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.95 -41.44 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.486 0.184 . . . . 0.01 111.11 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -64.67 -40.07 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.886 -0.412 . . . . 0.01 109.886 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -55.2 -46.83 75.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.01 110.308 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.52 -55.66 31.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.01 110.639 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.01 111.609 -179.801 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 . . . . . 0 CA--C 1.532 0.255 0 N-CA-C 112.236 0.458 . . . . 0.01 112.236 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.63 -21.88 7.67 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.933 0.345 . . . . 0.01 111.933 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 13.3 mm -73.42 -27.54 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.01 110.366 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . 0.442 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 34.0 t-105 -79.94 -46.98 15.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.981 0.363 . . . . 0.01 111.981 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -58.17 -43.72 87.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.457 -0.338 . . . . 0.01 110.196 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.76 -54.39 16.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.61 -0.436 . . . . 0.01 111.176 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.39 -34.08 15.36 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.927 0.343 . . . . 0.01 111.927 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.9 -33.72 76.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.457 -0.338 . . . . 0.01 110.175 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.42 -45.27 84.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.392 -0.367 . . . . 0.01 110.054 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -53.84 -37.84 64.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.01 111.967 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 48.7 t -78.31 -41.16 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.107 0.41 . . . . 0.01 112.107 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.96 -36.4 82.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.979 -0.378 . . . . 0.01 109.979 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.0 -56.96 6.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.01 111.412 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.43 -27.6 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.583 0.586 . . . . 0.01 112.583 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 0.6 OUTLIER -76.96 -48.61 17.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.484 0.55 . . . . 0.01 112.484 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.45 -32.53 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.618 -0.433 . . . . 0.01 110.443 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -79.4 -46.67 17.12 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.447 0.536 . . . . 0.01 112.447 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -48.23 -34.24 9.92 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.687 0.676 . . . . 0.01 111.11 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 5.4 ptm -65.9 -32.49 74.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.512 -0.767 . . . . 0.01 110.584 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 5.1 t -70.88 -31.7 68.44 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.911 -0.316 . . . . 0.01 110.2 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.45 -25.02 66.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.535 0.683 . . . . 0.01 109.875 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.4 -44.01 11.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.912 -1.04 . . . . 0.01 110.828 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.01 111.022 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 C--O 1.231 0.091 0 N-CA-C 111.708 0.262 . . . . 0.01 111.708 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.0 mm -42.89 103.92 0.34 Allowed Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.85 -0.159 . . . . 0.01 110.654 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.27 111.57 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.614 2.21 . . . . 0.01 113.279 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.64 147.36 13.5 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.0 1.8 . . . . 0.01 111.931 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.24 -22.98 8.77 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.671 -0.776 . . . . 0.01 113.063 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.57 -41.88 77.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.977 0.388 . . . . 0.01 110.803 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -56.24 -41.36 75.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.01 111.137 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.63 -32.86 74.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.01 111.501 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.38 -42.62 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.01 111.119 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.34 -32.19 66.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.01 111.077 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.4 94.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.01 111.29 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.39 -44.79 66.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.577 -0.82 . . . . 0.01 111.823 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 41.5 t80 -73.62 -50.77 19.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.01 111.244 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -51.81 -58.52 6.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.01 111.929 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.33 -32.72 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.01 111.589 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -75.93 -43.93 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.01 111.523 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.56 -45.12 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.01 111.556 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -75.48 -32.96 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.01 112.031 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -60.64 -39.23 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.155 0.428 . . . . 0.01 112.155 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -111.09 -23.69 10.76 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.154 0.427 . . . . 0.01 112.154 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 55.05 86.38 0.17 Allowed Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 121.187 -0.205 . . . . 0.01 110.699 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -84.03 169.45 11.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.659 2.239 . . . . 0.01 112.461 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.25 -30.22 5.65 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.55 2.167 . . . . 0.01 112.527 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -132.72 140.17 47.96 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.115 0.483 . . . . 0.01 111.276 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.5 -53.57 6.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.554 -0.748 . . . . 0.01 110.373 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -53.95 -46.06 64.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.01 111.619 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.18 -55.96 15.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.996 0.427 . . . . 0.01 110.651 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.03 -25.31 29.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.858 -0.61 . . . . 0.01 111.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.2 -43.5 74.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.582 -0.281 . . . . 0.01 111.386 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.46 -57.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.927 -0.768 . . . . 0.01 108.927 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -47.79 -35.02 9.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 0.01 111.317 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -78.62 -49.99 12.27 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 0.01 112.083 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.2 -41.17 81.75 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.782 0.29 . . . . 0.01 111.782 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.0 p -59.12 -52.02 67.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.01 110.916 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -50.78 -55.43 16.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.311 -0.404 . . . . 0.01 110.608 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tt -50.88 -55.83 15.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.01 110.71 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.186 -0.461 . . . . 0.01 110.994 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo . . . . . 0 N--CA 1.464 -0.256 0 N-CA-C 112.837 0.283 . . . . 0.01 112.837 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.19 -34.58 4.86 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.798 -0.715 . . . . 0.01 112.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.75 -42.77 65.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.594 0.235 . . . . 0.01 110.673 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -59.7 -51.88 67.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.044 0.449 . . . . 0.01 111.292 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.07 -44.63 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.01 111.876 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.97 -55.89 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.698 -0.228 . . . . 0.01 111.247 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.38 -31.6 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.01 110.225 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.17 -42.68 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.01 110.637 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.08 87.61 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.059 -0.591 . . . . 0.01 113.465 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -79.79 -48.69 13.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.611 0.243 . . . . 0.01 111.59 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -52.49 -53.23 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.086 0.402 . . . . 0.01 112.086 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 m -46.79 -35.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 111.968 0.358 . . . . 0.01 111.968 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.1 -34.87 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.01 111.06 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' B' ' 24' ' ' GLN . 26.4 t -64.92 -44.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.01 110.157 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.74 -53.33 59.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.795 -0.639 . . . . 0.01 112.131 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -71.41 -23.43 61.86 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.458 0.91 . . . . 0.01 113.458 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -107.86 -52.24 2.79 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.863 0.363 . . . . 0.01 111.67 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' B' ' 20' ' ' VAL . 45.3 mt-30 64.16 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.01 110.654 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -90.12 168.45 4.42 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.925 2.417 . . . . 0.01 112.491 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.89 -36.53 22.9 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.316 2.01 . . . . 0.01 112.004 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -132.97 135.89 45.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.192 -0.458 . . . . 0.01 111.164 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.51 -42.73 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.887 -0.597 . . . . 0.01 110.268 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.35 -37.58 74.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.01 110.807 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.14 -46.32 43.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.01 110.639 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -66.25 -26.0 67.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.294 -0.412 . . . . 0.01 111.007 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 -46.36 21.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.01 112.126 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 p -59.53 -31.84 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.863 0.363 . . . . 0.01 111.196 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.16 -44.13 26.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.068 -0.515 . . . . 0.01 111.152 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.42 -57.18 14.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.01 111.261 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 35.8 m-85 -59.38 -44.65 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 121.183 -0.207 . . . . 0.01 111.436 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.998 0.428 . . . . 0.01 110.278 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -56.78 -42.38 79.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.01 110.047 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.76 -52.1 66.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.01 110.585 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.01 111.123 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 114.949 1.463 . . . . 0.01 114.949 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.48 -35.34 8.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.117 1.155 . . . . 0.01 114.117 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 20.9 mm -71.87 -27.72 28.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.974 -0.291 . . . . 0.01 110.772 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -79.86 -48.83 12.86 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 111.85 0.315 . . . . 0.01 111.85 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -54.92 -45.27 74.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.923 -0.399 . . . . 0.01 109.923 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -67.31 -59.33 3.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.556 0.576 . . . . 0.01 112.556 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.91 -37.92 21.2 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.173 0.435 . . . . 0.01 112.173 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.51 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.541 -0.3 . . . . 0.01 110.531 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.01 110.563 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.84 -47.01 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.985 0.365 . . . . 0.01 111.985 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 29.1 t -69.26 -42.95 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.33 0.493 . . . . 0.01 112.33 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -65.9 -38.1 87.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.802 0.334 . . . . 0.01 110.207 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.07 -57.09 5.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.01 111.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.86 -27.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.43 . . . . 0.01 111.834 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.95 -48.77 22.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 0.01 109.55 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -57.99 -27.27 63.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.01 109.451 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.33 -54.52 5.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.926 0.713 . . . . 0.01 112.926 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.96 -36.87 13.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.082 0.771 . . . . 0.01 113.082 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -70.34 -28.87 65.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.337 -0.545 . . . . 0.01 110.731 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 1.5 m -67.11 -38.32 85.43 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.389 -0.967 . . . . 0.01 108.389 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.94 -21.27 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.446 0.641 . . . . 0.01 109.404 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 2.0 mp -84.12 -44.65 13.8 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.906 -1.043 . . . . 0.01 110.615 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 0.01 111.184 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.455 0.169 . . . . 0.01 111.348 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.3 mm -42.07 100.92 0.23 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.634 -0.257 . . . . 0.01 110.618 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.05 114.49 1.42 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.599 2.2 . . . . 0.01 113.168 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.78 152.22 3.1 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.015 1.81 . . . . 0.01 111.966 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.91 -20.48 15.36 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.644 -0.789 . . . . 0.01 113.028 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -30.12 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.929 0.395 . . . . 0.01 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.417 ' O ' HG23 ' C' ' 604' ' ' VAL . 0.2 OUTLIER -69.21 -53.97 17.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.01 111.712 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -62.43 -26.83 68.71 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.778 -0.369 . . . . 0.01 111.093 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -44.7 62.05 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.764 0.283 . . . . 0.01 111.764 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.65 -31.24 63.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.01 110.995 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' C' ' 604' ' ' VAL . 6.3 tt0 -62.32 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.01 110.644 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.52 87.53 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.43 -0.89 . . . . 0.01 111.353 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 48.2 t80 -71.03 -48.44 52.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.956 0.408 . . . . 0.01 110.978 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 m -56.26 -59.81 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.993 -0.549 . . . . 0.01 112.375 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.23 -28.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.01 111.575 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.4 -34.77 63.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.01 111.709 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -32.5 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 0.01 111.146 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -75.35 -51.34 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.01 112.023 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -74.97 -22.65 58.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.097 0.406 . . . . 0.01 112.097 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -93.84 -39.23 10.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.022 0.439 . . . . 0.01 110.734 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 58.39 75.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.671 -0.695 . . . . 0.01 111.275 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.55 163.68 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.084 2.522 . . . . 0.01 112.277 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.02 -30.8 2.04 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.526 2.151 . . . . 0.01 113.2 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -132.56 147.43 52.35 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.146 0.498 . . . . 0.01 111.328 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.92 -39.72 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.475 -0.784 . . . . 0.01 110.457 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.51 -42.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.01 110.873 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -74.47 -42.89 58.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.113 0.482 . . . . 0.01 110.163 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.48 -25.35 64.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 0.01 110.623 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.42 -49.38 42.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.029 -0.532 . . . . 0.01 111.758 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' ' OG1' ' A' ' 37' ' ' THR . 9.5 p -72.24 -29.21 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.864 -0.421 . . . . 0.01 109.864 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.968 0.413 . . . . 0.01 110.712 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -78.89 -39.65 34.46 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.665 0.617 . . . . 0.01 112.665 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -76.23 -51.45 12.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.61 0.596 . . . . 0.01 112.61 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 47.4 p -52.61 -45.02 66.39 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.576 -0.45 . . . . 0.01 110.796 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -56.57 -51.39 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.01 110.549 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.86 -55.76 30.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.01 110.312 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.01 110.89 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo . . . . . 0 CA--C 1.529 0.273 0 N-CA-C 113.031 0.358 . . . . 0.01 113.031 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.86 36.4 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.985 -0.552 . . . . 0.01 112.539 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.0 -39.44 93.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.774 -0.25 . . . . 0.01 111.467 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -52.97 -47.27 68.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.886 0.328 . . . . 0.01 111.886 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.66 -28.13 67.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.506 -0.316 . . . . 0.01 111.531 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -55.67 15.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.305 -0.257 . . . . 0.01 110.305 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.6 -33.96 72.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.507 -0.553 . . . . 0.01 109.507 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -49.27 64.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.01 110.229 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.55 -36.02 52.99 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.502 -0.772 . . . . 0.01 112.606 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -80.42 -51.23 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.01 111.33 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.2 m -54.03 -49.91 67.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.01 111.901 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -48.86 -33.52 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.88 0.371 . . . . 0.01 111.342 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -76.92 -32.05 57.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.909 -0.587 . . . . 0.01 110.343 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 24' ' ' GLN . 92.2 t -68.23 -52.17 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.01 111.04 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.52 -37.42 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.959 -0.564 . . . . 0.01 111.747 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -85.57 -24.39 27.24 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.844 0.683 . . . . 0.01 112.844 -177.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -104.48 -37.61 7.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.653 0.263 . . . . 0.01 111.637 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 20' ' ' VAL . 56.9 mt-30 57.63 84.22 0.21 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.01 110.801 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -87.81 171.59 5.88 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.109 2.539 . . . . 0.01 112.634 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.1 -33.52 9.41 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.466 2.11 . . . . 0.01 111.979 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -132.65 169.49 16.57 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.034 0.445 . . . . 0.01 110.634 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.88 -40.87 6.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.552 -0.749 . . . . 0.01 110.002 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.6 -40.3 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.01 111.223 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.51 -34.5 70.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.807 0.337 . . . . 0.01 110.871 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.67 -28.98 61.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.972 0.415 . . . . 0.01 110.344 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.8 -49.7 13.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.019 -0.537 . . . . 0.01 111.406 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 14.4 m -50.86 -47.7 29.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 0.01 110.763 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -65.91 -33.01 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.01 110.904 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -69.92 -44.51 69.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.01 111.673 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -77.75 -27.62 50.47 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.947 0.351 . . . . 0.01 111.947 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 74.0 p -72.9 -35.65 67.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.774 0.321 . . . . 0.01 110.708 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -69.05 -35.74 76.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.01 110.25 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.89 -55.83 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.01 111.095 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.01 111.03 -179.719 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 112.174 0.435 . . . . 0.01 112.174 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.97 -27.76 2.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.006 0.431 . . . . 0.01 111.907 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.38 -34.27 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.717 -0.674 . . . . 0.01 110.255 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -81.21 -44.68 17.44 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.053 0.39 . . . . 0.01 112.053 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -58.19 -45.76 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.525 . . . . 0.01 110.97 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.54 -57.9 5.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.52 0.563 . . . . 0.01 112.52 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.52 -30.4 5.2 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.123 0.416 . . . . 0.01 112.123 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.09 -35.39 80.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.01 110.739 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.92 -44.01 94.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.01 110.384 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.28 67.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.216 0.45 . . . . 0.01 112.216 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.41 -42.64 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.316 0.488 . . . . 0.01 112.316 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -65.33 -36.91 85.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.782 0.325 . . . . 0.01 110.298 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.74 -57.58 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 0.01 111.298 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . 0.42 ' CG2' ' N ' ' A' ' 14' ' ' GLN . 9.1 p -60.56 -27.42 40.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 112.103 0.409 . . . . 0.01 112.103 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -47.01 29.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.397 -0.365 . . . . 0.01 110.677 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.883 -0.414 . . . . 0.01 109.883 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -59.17 2.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.355 0.502 . . . . 0.01 112.355 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.71 6.58 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.885 0.698 . . . . 0.01 112.885 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 10.7 ptp -64.77 -30.95 71.97 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.781 -0.368 . . . . 0.01 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -39.12 77.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.638 -0.504 . . . . 0.01 109.638 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.48 -26.05 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 0.01 110.431 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -40.95 12.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.586 -0.733 . . . . 0.01 111.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.443 -0.344 . . . . 0.01 110.941 179.735 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--O 1.23 0.044 0 N-CA-C 111.515 0.191 . . . . 0.01 111.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.5 mm -38.15 98.46 0.16 Allowed Pre-proline 0 N--CA 1.468 0.437 0 CA-C-N 116.52 -0.309 . . . . 0.01 111.275 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.76 109.55 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.368 2.045 . . . . 0.01 112.508 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.71 153.88 1.18 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.36 2.04 . . . . 0.01 112.617 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.38 -22.49 12.79 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.922 -0.656 . . . . 0.01 113.131 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.26 -35.07 73.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.907 0.384 . . . . 0.01 110.646 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -50.19 65.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.01 110.826 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.64 -33.75 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.01 111.646 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -47.86 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.723 0.297 . . . . 0.01 111.663 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.01 110.174 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -44.51 94.76 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.01 110.256 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.97 -45.05 72.31 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.01 111.383 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -71.88 -49.77 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.051 0.453 . . . . 0.01 110.273 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -55.38 -59.49 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 0.01 112.331 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -55.55 -29.81 25.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.216 -0.447 . . . . 0.01 111.575 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -79.07 -49.23 12.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.01 111.427 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.2 t -49.22 -41.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.01 111.229 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.81 -42.63 60.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.01 110.926 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -68.67 -23.31 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 0.01 112.322 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -111.41 -38.09 5.07 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.952 0.353 . . . . 0.01 111.952 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 55.91 82.92 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.632 0.253 . . . . 0.01 110.359 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -89.94 170.6 4.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.121 2.547 . . . . 0.01 112.792 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.98 -33.51 6.04 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.413 2.076 . . . . 0.01 111.962 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -132.81 139.52 47.54 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 116.219 -0.446 . . . . 0.01 111.073 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.17 -47.47 43.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.01 110.723 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -55.56 -54.24 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.01 110.856 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.42 -50.14 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.01 110.75 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.01 111.73 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.4 -43.62 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.945 0.35 . . . . 0.01 111.945 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.61 -59.64 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.01 109.069 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -31.95 16.62 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.902 -0.319 . . . . 0.01 111.078 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.55 -54.39 6.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.474 -0.33 . . . . 0.01 111.793 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 9.9 m-85 -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.575 0.226 . . . . 0.01 111.426 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -70.68 -51.43 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.139 -0.224 . . . . 0.01 111.057 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -66.63 -29.46 69.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.01 110.924 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.08 -56.04 24.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.01 110.518 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.092 0.472 . . . . 0.01 110.516 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo . . . . . 0 CA--C 1.529 0.251 0 CA-C-O 120.855 0.273 . . . . 0.01 112.545 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.76 -28.57 11.99 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.992 -0.623 . . . . 0.01 112.616 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.37 -44.18 72.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.527 0.203 . . . . 0.01 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.6 m -51.21 -41.4 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.01 111.212 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.89 -48.84 64.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.01 111.93 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.76 -55.85 14.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.691 -0.231 . . . . 0.01 111.461 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.47 -38.3 83.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.01 110.153 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.444 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 2.8 tt0 -62.2 -40.12 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.01 110.834 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.37 -31.41 62.77 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.911 -0.661 . . . . 0.01 112.815 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -79.67 -50.33 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.01 111.185 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 0.01 111.694 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -46.0 -41.66 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 112.721 0.637 . . . . 0.01 112.721 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.408 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 13.4 pt-20 -79.37 -31.81 43.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.836 0.35 . . . . 0.01 110.907 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' B' ' 24' ' ' GLN . 67.8 t -63.61 -56.77 14.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.01 110.263 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -43.33 64.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.01 111.065 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -70.75 -23.89 62.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.951 0.723 . . . . 0.01 112.951 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -106.21 -49.3 3.39 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.957 0.355 . . . . 0.01 111.957 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 20' ' ' VAL . 39.8 mm-40 65.91 82.59 0.2 Allowed Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.109 -0.496 . . . . 0.01 110.436 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.27 168.8 11.57 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.63 2.22 . . . . 0.01 112.616 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.49 -32.71 7.61 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.421 2.081 . . . . 0.01 112.14 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.53 136.36 46.58 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.993 0.425 . . . . 0.01 110.948 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.2 mt -84.14 -27.88 27.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 0.01 111.213 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.72 -41.59 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.5 -0.318 . . . . 0.01 111.049 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.81 -56.12 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.01 111.311 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.48 -25.24 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.01 111.709 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.438 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.03 -38.11 45.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.921 0.341 . . . . 0.01 111.921 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' B' ' 37' ' ' THR . 0.3 OUTLIER -61.57 -40.35 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.01 110.81 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.86 -46.75 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.01 111.298 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.408 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 83.5 t80 -57.18 -52.05 66.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.01 111.232 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -68.79 -49.68 56.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.46 0.17 . . . . 0.01 111.46 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' B' ' 33' ' ' VAL . 66.7 p -57.05 -40.57 77.04 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.857 0.36 . . . . 0.01 110.606 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -54.94 -46.25 74.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.01 110.313 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.3 mt -72.29 -31.32 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.01 110.262 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.01 111.376 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 113.429 0.9 . . . . 0.01 113.429 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.3 -26.72 1.32 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.701 0.63 . . . . 0.01 112.701 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.18 -28.23 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.51 -0.314 . . . . 0.01 110.802 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . 0.444 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 46.4 t-105 -80.03 -45.71 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 0.01 111.119 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -56.9 -45.1 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.776 -0.453 . . . . 0.01 109.776 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.38 -55.84 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.01 111.965 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -37.86 19.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 120.938 0.399 . . . . 0.01 111.2 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.27 -30.72 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.01 110.375 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -66.69 -45.2 79.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.01 110.297 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -55.83 -30.76 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.477 -0.329 . . . . 0.01 111.519 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 30.5 t -83.28 -45.16 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.266 0.469 . . . . 0.01 112.266 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.06 -38.42 88.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.879 0.371 . . . . 0.01 110.173 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.27 -57.19 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.01 110.765 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.88 -26.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.967 0.413 . . . . 0.01 112.062 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -48.28 24.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.15 -0.477 . . . . 0.01 111.017 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.43 76.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.01 111.394 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . 0.516 ' O ' ' OG1' ' C' ' 610' ' ' THR . 4.1 pt20 -79.25 -48.18 14.62 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.637 0.606 . . . . 0.01 112.637 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.88 -37.17 5.98 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.804 -0.56 . . . . 0.01 111.659 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 17.7 ptp -72.05 -32.28 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.01 111.507 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 610' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.6 OUTLIER -65.61 -34.28 77.86 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.403 -0.962 . . . . 0.01 108.403 177.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -23.17 66.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.164 -0.68 . . . . 0.01 109.164 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 7.0 mt -89.08 -43.76 10.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.268 -0.878 . . . . 0.01 110.394 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.01 110.995 179.884 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 111.201 0.074 . . . . 0.01 111.201 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.0 mm -45.78 102.59 0.31 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.847 -0.161 . . . . 0.01 110.608 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.73 164.16 1.63 Allowed 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.941 1.761 . . . . 0.01 112.481 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -92.5 157.28 2.99 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.828 2.352 . . . . 0.01 111.948 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -19.26 17.38 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.81 -0.71 . . . . 0.01 112.932 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.48 -47.51 72.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.845 0.355 . . . . 0.01 111.102 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -50.79 72.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.01 111.526 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -36.9 77.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.01 111.309 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tp -74.36 -44.97 49.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.01 111.46 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.39 -40.3 67.33 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.975 -0.557 . . . . 0.01 110.997 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -38.84 83.58 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.721 0.296 . . . . 0.01 110.507 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.87 -45.62 91.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.52 -0.848 . . . . 0.01 111.054 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -69.63 -48.51 59.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.433 . . . . 0.01 110.13 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.9 m -55.81 -60.42 3.49 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.88 -0.6 . . . . 0.01 112.228 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.74 -26.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.01 111.695 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.6 -24.61 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.868 0.366 . . . . 0.01 110.742 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.86 -38.61 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.404 0.52 . . . . 0.01 112.404 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.25 -35.72 71.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.697 0.284 . . . . 0.01 111.311 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -75.31 -29.99 60.2 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.488 0.551 . . . . 0.01 112.488 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -106.99 -52.91 2.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.982 0.42 . . . . 0.01 110.898 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 58.3 57.71 6.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 113.137 0.791 . . . . 0.01 113.137 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.96 170.16 20.74 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.339 2.026 . . . . 0.01 111.152 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.67 -7.95 22.19 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 122.383 2.055 . . . . 0.01 115.567 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -133.21 118.9 19.17 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.34 0.973 . . . . 0.01 112.003 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 mt -81.97 -39.29 23.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.01 109.456 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -37.31 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.01 109.314 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -70.97 -48.24 54.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.966 -0.753 . . . . 0.01 108.966 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.34 -54.68 10.47 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.336 0.589 . . . . 0.01 110.836 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.432 ' CB ' ' CD1' ' B' ' 36' ' ' PHE . . . -46.74 -46.61 20.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.179 0.807 . . . . 0.01 113.179 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.15 -60.15 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.795 -0.362 . . . . 0.01 110.558 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.29 -32.02 23.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.394 -0.523 . . . . 0.01 111.13 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -78.78 -57.9 3.52 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.086 0.402 . . . . 0.01 112.086 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -63.59 -28.22 69.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.817 0.303 . . . . 0.01 111.817 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -71.6 -55.21 8.21 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.792 0.33 . . . . 0.01 110.807 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -54.51 -52.01 63.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.01 111.141 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tt -48.48 -56.39 8.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.217 -0.447 . . . . 0.01 111.068 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 0.01 110.831 179.481 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo . . . . . 0 CA--C 1.53 0.314 0 N-CA-C 112.962 0.332 . . . . 0.01 112.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.35 -31.08 8.88 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 121.158 -0.544 . . . . 0.01 113.116 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.96 -42.99 69.53 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.721 -0.282 . . . . 0.01 110.806 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.4 m -52.86 -41.78 64.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.398 . . . . 0.01 111.04 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.74 -41.46 87.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.067 -0.515 . . . . 0.01 111.126 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.15 -53.25 59.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.64 0.257 . . . . 0.01 110.548 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.72 -43.32 94.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.01 109.888 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.421 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 0.6 OUTLIER -62.57 -45.08 94.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.829 -0.623 . . . . 0.01 110.789 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.23 61.65 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.209 -0.52 . . . . 0.01 113.052 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -79.42 -46.64 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.01 110.802 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -54.39 -40.91 68.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.01 111.966 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -60.67 -28.01 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.806 0.336 . . . . 0.01 111.578 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.62 -47.43 17.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.369 -0.378 . . . . 0.01 110.256 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' B' ' 24' ' ' GLN . 38.1 t -50.75 -47.74 28.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.125 0.488 . . . . 0.01 110.17 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.02 -40.79 96.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.01 110.976 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -77.01 -28.18 54.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.2 0.815 . . . . 0.01 113.2 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -107.96 -47.11 3.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.945 0.35 . . . . 0.01 111.945 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 20' ' ' VAL . 26.9 mm-40 66.38 66.05 0.76 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 0.01 110.515 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.57 159.92 47.77 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.804 2.336 . . . . 0.01 112.447 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.77 -40.35 55.13 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.142 1.894 . . . . 0.01 111.906 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -132.6 130.92 40.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.148 -0.478 . . . . 0.01 110.724 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.36 -51.17 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.01 110.619 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -48.72 -33.17 4.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 121.052 0.453 . . . . 0.01 110.267 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.47 -55.82 5.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.843 -0.617 . . . . 0.01 110.335 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.38 -25.64 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.01 111.172 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.92 23.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.256 0.465 . . . . 0.01 112.256 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.0 -33.82 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.91 0.386 . . . . 0.01 111.06 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -78.29 -45.39 22.86 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.148 -0.478 . . . . 0.01 111.231 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.13 -48.03 81.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.01 111.362 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.432 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 44.0 m-85 -67.15 -39.03 86.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.528 0.204 . . . . 0.01 111.459 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 32.7 p -65.75 -33.85 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.946 0.403 . . . . 0.01 110.486 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -59.87 -39.93 86.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.975 -0.557 . . . . 0.01 109.866 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.47 -55.94 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.56 . . . . 0.01 110.555 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.01 110.841 179.73 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 113.29 0.848 . . . . 0.01 113.29 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -48.55 -32.33 7.86 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.56 0.948 . . . . 0.01 113.56 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.69 -27.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.098 -0.241 . . . . 0.01 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . 0.421 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 56.5 t-105 -79.38 -45.81 18.8 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.723 0.297 . . . . 0.01 111.355 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -57.03 -46.22 82.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.699 -0.482 . . . . 0.01 109.699 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -67.53 -59.87 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.205 0.446 . . . . 0.01 112.205 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.2 -36.08 18.84 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.187 0.44 . . . . 0.01 112.187 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -38.9 89.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.369 -0.378 . . . . 0.01 110.99 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -61.03 -43.5 98.79 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.132 -0.321 . . . . 0.01 110.132 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.71 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.91 0.337 . . . . 0.01 111.91 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' C' ' 605' ' ' LYS . 15.2 t -72.47 -41.7 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.839 0.311 . . . . 0.01 111.839 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.89 -45.21 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.01 110.674 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.96 -54.33 32.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 0.01 111.071 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.65 -27.16 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.608 0.595 . . . . 0.01 112.608 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' C' ' 601' ' ' VAL . 0.0 OUTLIER -75.29 -52.33 11.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.01 109.944 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -24.06 62.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.942 -0.572 . . . . 0.01 109.936 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.47 -50.76 11.07 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.165 0.802 . . . . 0.01 113.165 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.24 -29.3 2.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.331 0.514 . . . . 0.01 112.324 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.56 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 0.01 110.315 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 3.1 m -66.02 -40.26 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.28 -0.637 . . . . 0.01 109.28 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -62.39 -26.03 68.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.52 -0.764 . . . . 0.01 110.308 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.05 -26.21 21.53 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.512 -0.767 . . . . 0.01 110.78 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.306 -0.406 . . . . 0.01 111.552 -179.771 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 111.508 0.188 . . . . 0.01 111.508 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.8 mm -46.84 103.71 0.37 Allowed Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 121.081 -0.248 . . . . 0.01 110.413 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -53.9 117.34 3.76 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.242 1.961 . . . . 0.01 112.647 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -47.34 146.22 7.33 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.746 1.631 . . . . 0.01 111.814 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.67 -24.3 10.8 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.59 -0.814 . . . . 0.01 113.223 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.22 -53.83 44.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 117.051 0.426 . . . . 0.01 111.049 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -40.16 65.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.01 110.98 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.14 -34.83 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.01 111.603 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.82 -44.51 69.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.828 0.347 . . . . 0.01 111.237 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.49 -27.28 64.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.01 110.729 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -65.72 -43.88 87.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.224 -0.444 . . . . 0.01 111.377 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.13 70.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.559 -0.829 . . . . 0.01 111.806 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -68.31 -46.15 71.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.01 110.431 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -56.74 -59.8 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.785 0.661 . . . . 0.01 112.785 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -54.86 -34.47 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.898 0.38 . . . . 0.01 111.53 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.98 -31.76 68.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.01 110.997 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.52 -38.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.01 110.761 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.4 mt -73.48 -30.23 63.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.435 . . . . 0.01 110.972 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -85.28 -25.73 27.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.491 0.552 . . . . 0.01 112.491 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -112.03 -43.66 3.55 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.842 0.312 . . . . 0.01 111.842 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 63.83 75.01 0.4 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.698 0.285 . . . . 0.01 110.486 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.37 166.66 27.15 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.554 2.169 . . . . 0.01 112.379 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.95 -35.04 12.79 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.415 2.077 . . . . 0.01 112.421 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -132.82 145.37 50.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.01 111.149 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.7 -48.01 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.606 -0.724 . . . . 0.01 110.32 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p -58.4 -44.98 89.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 0.01 111.0 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -63.99 -47.94 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.992 0.425 . . . . 0.01 110.592 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.59 -29.5 70.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.01 111.749 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.07 85.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 0.01 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.98 -59.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.332 -0.988 . . . . 0.01 108.332 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.67 -34.2 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.852 0.358 . . . . 0.01 110.745 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -78.19 -53.62 7.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.015 -0.539 . . . . 0.01 111.709 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -67.12 -48.98 66.44 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.757 0.28 . . . . 0.01 111.757 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 p -52.83 -54.73 30.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.89 0.376 . . . . 0.01 110.813 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -34.28 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.01 110.691 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.56 -56.17 25.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.01 110.358 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.027 0.441 . . . . 0.01 111.005 179.379 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 N--CA 1.461 -0.415 0 CA-C-O 120.704 0.21 . . . . 0.01 112.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.83 -36.91 3.29 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.183 -0.532 . . . . 0.01 112.964 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -46.61 -49.06 19.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.01 111.113 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -49.92 -38.76 37.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.01 110.116 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.21 -36.89 85.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.795 -0.638 . . . . 0.01 111.333 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.79 -55.24 15.8 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.624 -0.262 . . . . 0.01 110.683 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.17 -34.39 73.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.354 0.597 . . . . 0.01 109.577 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.9 -45.73 56.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.156 -0.929 . . . . 0.01 111.204 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.18 -28.49 54.42 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.01 112.503 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -79.86 -45.83 17.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.366 . . . . 0.01 111.273 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -54.31 -55.45 28.19 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.326 0.491 . . . . 0.01 112.326 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -46.06 -34.8 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.01 111.889 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -79.48 -48.56 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.01 110.439 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.23 -53.77 26.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.987 -0.551 . . . . 0.01 111.28 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.11 -42.99 77.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.888 -0.596 . . . . 0.01 112.123 -178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -85.45 -22.98 28.04 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.695 0.628 . . . . 0.01 112.695 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -95.08 -38.69 10.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 0.01 111.059 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 55.61 80.32 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.01 110.704 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -85.03 163.92 11.59 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.739 2.293 . . . . 0.01 112.713 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.43 -37.65 4.12 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.335 2.023 . . . . 0.01 111.849 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -132.6 136.61 46.64 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.242 -0.436 . . . . 0.01 110.853 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 mt -75.74 -42.49 50.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.01 111.111 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.11 -40.86 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.01 111.378 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -75.69 -40.43 55.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.907 0.384 . . . . 0.01 111.009 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -71.64 -29.02 64.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.344 . . . . 0.01 110.921 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.86 -52.6 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.408 -0.36 . . . . 0.01 111.665 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.66 ' O ' ' OG1' ' B' ' 37' ' ' THR . 6.1 p -51.73 -50.28 32.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.01 111.288 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -59.63 -39.42 84.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 0.01 111.239 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -62.48 -48.53 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.01 110.922 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -75.79 -46.82 28.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.601 0.223 . . . . 0.01 111.601 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.66 ' OG1' ' O ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER -62.16 -26.37 68.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.01 111.194 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -39.31 37.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.202 0.525 . . . . 0.01 109.872 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.89 -49.07 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.585 -0.734 . . . . 0.01 111.344 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.376 . . . . 0.01 111.744 -179.55 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 113.487 0.921 . . . . 0.01 113.487 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.4 -28.69 3.39 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.859 1.059 . . . . 0.01 113.859 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 35.2 mm -74.68 -28.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.466 0.174 . . . . 0.01 111.459 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -79.96 -47.26 15.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.223 0.453 . . . . 0.01 112.223 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -55.51 -43.07 75.34 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.906 -0.317 . . . . 0.01 110.407 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.17 -59.58 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.177 0.806 . . . . 0.01 113.177 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.31 -42.92 42.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.521 0.934 . . . . 0.01 113.521 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -30.77 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.166 -0.214 . . . . 0.01 111.009 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -40.62 90.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.923 -0.399 . . . . 0.01 109.923 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -56.77 -31.97 65.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.553 -0.294 . . . . 0.01 111.693 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 15.8 t -82.98 -42.88 18.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 112.354 0.501 . . . . 0.01 112.354 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.01 109.979 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -75.64 -56.23 4.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.918 -0.583 . . . . 0.01 111.415 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.63 -27.81 43.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 112.968 0.729 . . . . 0.01 112.968 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -44.1 43.35 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.797 -0.361 . . . . 0.01 110.248 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -63.19 -26.5 68.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.589 -0.523 . . . . 0.01 109.589 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -55.62 5.09 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.322 0.49 . . . . 0.01 112.322 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.99 -32.81 2.97 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.544 0.572 . . . . 0.01 112.544 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -64.16 -31.48 72.69 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.644 -0.422 . . . . 0.01 110.353 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 94.0 m -66.84 -37.63 84.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.558 -0.534 . . . . 0.01 109.558 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -58.92 -25.68 63.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.01 110.271 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.37 -56.28 3.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.427 -0.806 . . . . 0.01 111.173 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.01 111.712 -179.492 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 111.524 0.194 . . . . 0.01 111.524 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.72 108.58 0.92 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.896 -0.409 . . . . 0.01 109.896 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.58 110.31 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.549 2.166 . . . . 0.01 112.83 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.33 151.99 2.54 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.131 1.888 . . . . 0.01 111.847 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -21.94 4.0 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.605 -0.807 . . . . 0.01 113.024 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.09 -43.62 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.988 0.394 . . . . 0.01 111.343 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.91 -41.99 64.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.393 -0.367 . . . . 0.01 111.06 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.63 -34.6 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.01 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.37 -45.18 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.01 111.147 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.15 -32.7 70.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.978 -0.555 . . . . 0.01 110.603 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -58.24 -45.12 88.33 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 116.233 -0.439 . . . . 0.01 111.159 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -44.72 68.08 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.682 -0.771 . . . . 0.01 112.138 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -72.49 -47.07 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.923 0.392 . . . . 0.01 111.011 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -57.33 -59.87 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.646 0.61 . . . . 0.01 112.646 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -49.84 -26.12 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 111.658 0.244 . . . . 0.01 111.658 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.2 -34.81 59.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.521 0.193 . . . . 0.01 111.521 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -36.65 78.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.01 111.443 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.79 -40.91 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.01 110.188 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -82.17 -23.03 35.76 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.679 0.622 . . . . 0.01 112.679 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -52.23 2.79 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.04 0.385 . . . . 0.01 112.04 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 66.56 87.63 0.12 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.01 110.235 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -93.53 164.5 2.34 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.393 2.729 . . . . 0.01 112.954 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -82.1 -26.32 2.94 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.572 2.182 . . . . 0.01 112.562 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.39 137.68 47.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.021 0.439 . . . . 0.01 110.853 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.19 -51.3 10.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.769 -0.651 . . . . 0.01 111.265 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 p -56.83 -41.79 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.01 111.595 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.79 -49.38 59.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 0.01 110.752 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -63.05 -25.21 68.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.01 111.748 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.07 -44.4 26.41 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.381 0.512 . . . . 0.01 112.381 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -72.14 -34.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.792 -0.447 . . . . 0.01 109.792 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.87 -34.34 77.57 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.362 -0.535 . . . . 0.01 110.136 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -78.88 -46.85 17.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 0.01 111.73 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.67 -48.93 67.79 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.691 0.256 . . . . 0.01 111.691 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -53.0 -55.12 26.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.01 110.943 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -46.69 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.01 111.36 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tt -48.48 -56.25 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.701 0.286 . . . . 0.01 111.126 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.01 111.151 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo . . . . . 0 CA--C 1.529 0.267 0 N-CA-C 113.029 0.357 . . . . 0.01 113.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.66 -29.54 2.12 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.033 -0.53 . . . . 0.01 112.385 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.64 -40.12 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.444 0.164 . . . . 0.01 111.066 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.2 m -52.13 -44.01 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.01 110.599 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.23 -39.78 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.01 111.548 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.47 -57.59 12.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.548 -0.296 . . . . 0.01 110.931 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.32 -34.55 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.038 0.447 . . . . 0.01 110.017 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -70.65 -33.34 70.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.722 -0.672 . . . . 0.01 110.245 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.03 -32.44 76.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.044 -0.598 . . . . 0.01 112.307 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -80.25 -45.76 17.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.01 110.794 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.509 ' O ' HG21 ' B' ' 20' ' ' VAL . 2.1 m -59.16 -32.37 69.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.549 0.574 . . . . 0.01 112.549 -178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 m -59.6 -25.95 33.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.173 -0.611 . . . . 0.01 110.854 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -77.99 -53.82 6.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.01 110.948 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.509 HG21 ' O ' ' B' ' 17' ' ' THR . 30.0 m -55.95 -40.43 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 121.044 0.45 . . . . 0.01 110.405 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.02 -40.88 86.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.01 110.351 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -72.18 -44.27 63.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.433 0.901 . . . . 0.01 113.433 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -105.22 -46.02 4.35 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.386 0.513 . . . . 0.01 112.386 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 20' ' ' VAL . 5.6 mm-40 73.46 73.47 0.23 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.01 110.094 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.73 170.57 9.77 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.545 2.163 . . . . 0.01 112.839 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.05 -30.01 7.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.684 2.256 . . . . 0.01 112.522 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.4 131.73 42.1 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.116 0.484 . . . . 0.01 111.126 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.28 -48.55 15.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.01 110.756 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p -59.16 -41.03 82.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.01 111.02 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -66.31 -56.33 11.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.94 0.4 . . . . 0.01 111.035 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.92 -25.08 56.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.01 111.989 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.78 34.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.795 0.665 . . . . 0.01 112.795 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -59.44 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.01 110.932 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -52.93 -40.33 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.01 111.624 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -63.01 -49.59 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.01 111.141 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.53 -25.37 65.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.217 -0.193 . . . . 0.01 111.5 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 71.8 p -77.08 -40.75 44.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.055 0.455 . . . . 0.01 110.207 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -57.17 -43.41 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.01 109.993 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.28 -49.52 73.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.01 110.713 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.453 -0.339 . . . . 0.01 110.751 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 112.869 0.692 . . . . 0.01 112.869 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.53 -30.63 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.808 0.67 . . . . 0.01 112.808 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.76 -27.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.907 0.336 . . . . 0.01 111.907 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -79.47 -43.8 22.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.881 -0.328 . . . . 0.01 111.124 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -58.6 -45.03 90.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.482 -0.562 . . . . 0.01 109.482 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -63.85 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.471 0.545 . . . . 0.01 112.471 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -33.47 10.22 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.266 0.469 . . . . 0.01 112.266 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -65.27 -34.09 77.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.542 -0.299 . . . . 0.01 110.678 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -45.79 74.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.168 -0.308 . . . . 0.01 110.168 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -53.5 -33.61 55.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.459 -0.337 . . . . 0.01 111.785 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 65.7 t -83.16 -41.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.433 0.531 . . . . 0.01 112.433 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.93 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.905 0.383 . . . . 0.01 110.16 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.91 -55.82 12.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 0.01 111.279 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.98 -26.41 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.092 0.404 . . . . 0.01 112.092 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 2.1 ttmm -71.59 -51.84 21.22 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.01 110.477 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -27.04 67.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.745 -0.661 . . . . 0.01 109.592 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . 0.456 ' O ' ' OG1' ' C' ' 610' ' ' THR . 14.9 mt-30 -79.33 -55.5 5.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.048 -0.524 . . . . 0.01 112.238 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.8 -34.92 9.24 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.819 -0.551 . . . . 0.01 111.986 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 6.1 ptm -65.74 -33.75 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.199 -0.455 . . . . 0.01 110.795 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 610' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -69.5 -39.76 77.4 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.438 -0.578 . . . . 0.01 109.438 178.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.22 -26.61 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.392 0.615 . . . . 0.01 110.025 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -37.5 14.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.078 -0.964 . . . . 0.01 110.722 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.998 -0.546 . . . . 0.01 111.148 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 . . . . . 0 N--CA 1.46 0.05 0 N-CA-C 112.125 0.417 . . . . 0.01 112.125 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.3 mm -50.18 105.94 0.58 Allowed Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 116.74 -0.209 . . . . 0.01 110.764 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -52.7 152.15 17.6 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.233 1.955 . . . . 0.01 112.502 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.45 149.83 16.88 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.443 2.095 . . . . 0.01 111.95 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.67 -21.71 7.29 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.695 -0.764 . . . . 0.01 113.37 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -46.48 81.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.01 110.773 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -57.68 -41.56 81.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.01 111.111 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.38 -30.93 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.01 111.517 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.68 62.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.862 0.363 . . . . 0.01 111.295 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.62 -30.15 66.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.114 -0.494 . . . . 0.01 110.759 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -64.39 -42.96 95.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.463 . . . . 0.01 110.858 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.4 -45.49 75.47 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.55 -0.833 . . . . 0.01 111.877 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 50.0 t80 -70.47 -48.53 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.01 111.034 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -52.91 -59.93 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.688 0.625 . . . . 0.01 112.688 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -54.2 -30.85 21.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.022 0.379 . . . . 0.01 112.022 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -78.48 -42.71 28.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.532 0.206 . . . . 0.01 111.262 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.4 t -54.22 -41.62 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.01 110.702 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.27 -37.48 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.914 -0.584 . . . . 0.01 111.235 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -60.24 -34.08 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 0.01 112.045 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -112.49 -27.54 8.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.17 0.433 . . . . 0.01 112.17 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 55.06 82.88 0.23 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.491 0.186 . . . . 0.01 110.578 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.29 169.7 13.97 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.586 2.19 . . . . 0.01 112.59 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.35 -31.64 8.97 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.53 2.153 . . . . 0.01 112.269 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -132.62 141.35 48.62 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.14 0.495 . . . . 0.01 110.944 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mt -86.11 -30.41 22.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.01 111.167 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.51 -41.59 63.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.246 -0.434 . . . . 0.01 111.49 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -70.42 -56.08 7.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.988 0.423 . . . . 0.01 110.733 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.75 -25.44 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.824 -0.625 . . . . 0.01 111.697 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.19 -41.86 69.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.466 -0.334 . . . . 0.01 111.553 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.35 -59.22 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 108.705 -0.85 . . . . 0.01 108.705 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.03 -33.63 11.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.821 0.343 . . . . 0.01 111.309 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -78.51 -48.55 15.08 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.41 0.522 . . . . 0.01 112.41 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.77 -48.48 37.94 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.925 0.342 . . . . 0.01 111.925 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -52.89 -51.53 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.01 111.109 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -54.38 -53.05 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.01 110.838 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -56.02 9.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.01 111.491 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.497 ' HG2' ' CG1' ' B' ' 29' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.86 0.362 . . . . 0.01 111.093 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo . . . . . 0 CA--C 1.528 0.209 0 CA-C-O 120.753 0.231 . . . . 0.01 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.25 2.16 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 116.135 -0.484 . . . . 0.01 112.416 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.26 -46.73 36.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.58 0.229 . . . . 0.01 110.788 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 m -54.53 -46.63 73.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.01 110.414 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.0 -37.63 88.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.816 -0.629 . . . . 0.01 111.463 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.47 -48.46 79.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.79 0.329 . . . . 0.01 110.27 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.12 -28.37 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.317 -0.624 . . . . 0.01 109.317 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.93 -43.24 75.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.624 -0.717 . . . . 0.01 110.964 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.32 -31.42 69.79 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.007 -0.616 . . . . 0.01 113.217 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -79.39 -49.23 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.766 0.317 . . . . 0.01 111.387 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.7 p -52.23 -58.45 6.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.695 0.283 . . . . 0.01 111.661 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.77 -40.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.332 0.864 . . . . 0.01 113.332 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.412 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 15.5 pt-20 -79.05 -33.11 45.0 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.744 0.307 . . . . 0.01 111.041 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' B' ' 24' ' ' GLN . 24.9 t -62.14 -51.96 66.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.059 0.457 . . . . 0.01 110.005 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.12 -50.4 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.01 110.913 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -68.94 -23.47 64.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.568 0.951 . . . . 0.01 113.568 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.23 -45.33 3.95 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.467 0.543 . . . . 0.01 112.467 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 20' ' ' VAL . 53.1 mm-40 63.71 86.51 0.14 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 0.01 110.133 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -86.22 166.48 9.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.74 2.293 . . . . 0.01 112.891 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.41 -38.33 4.74 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.331 2.02 . . . . 0.01 111.471 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -132.54 131.9 42.03 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 115.919 -0.582 . . . . 0.01 110.337 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.69 -23.33 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.01 111.57 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.497 ' CG1' ' HG2' ' A' ' 40' ' ' ARG . 5.2 t -70.36 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.01 111.366 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.09 -44.35 80.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.289 -0.414 . . . . 0.01 111.721 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -55.86 -27.35 51.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.738 0.304 . . . . 0.01 111.204 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.77 -34.69 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.01 111.188 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.35 -56.8 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.01 110.528 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -57.47 -33.73 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.853 -0.612 . . . . 0.01 111.159 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.412 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 78.4 t80 -71.82 -50.23 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.01 111.452 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -71.07 -24.81 62.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.837 0.31 . . . . 0.01 111.837 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -82.3 -34.94 28.43 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.181 0.437 . . . . 0.01 112.181 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.88 71.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.637 -0.425 . . . . 0.01 110.118 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -47.25 20.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.01 110.255 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.01 111.102 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 114.599 1.333 . . . . 0.01 114.599 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -45.4 -29.47 1.09 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.152 0.797 . . . . 0.01 113.152 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.91 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.604 0.24 . . . . 0.01 110.749 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . 0.533 ' CD2' ' OE2' ' C' ' 598' ' ' GLU . 51.1 t-105 -79.59 -50.53 10.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.01 111.738 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.44 -44.05 75.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.321 -0.4 . . . . 0.01 110.816 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -54.88 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.933 0.716 . . . . 0.01 112.933 -178.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.78 -37.75 19.96 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.008 -0.432 . . . . 0.01 111.5 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -67.22 -34.84 78.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.01 111.126 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.644 -0.502 . . . . 0.01 109.644 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -56.58 -28.58 60.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.01 111.219 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 12.9 t -83.29 -44.86 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.01 111.923 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -64.91 -33.75 76.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.01 110.273 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -55.99 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.01 111.15 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.35 -29.32 46.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 112.78 0.659 . . . . 0.01 112.78 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -44.2 41.9 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.87 -0.418 . . . . 0.01 109.87 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -60.55 -26.66 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.24 -0.652 . . . . 0.01 109.24 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . 0.439 ' O ' ' OG1' ' C' ' 610' ' ' THR . 0.0 OUTLIER -79.24 -54.08 6.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.055 -0.52 . . . . 0.01 111.95 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.98 -36.9 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.993 -0.442 . . . . 0.01 112.181 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 14.0 ptp -67.8 -35.53 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.113 -0.494 . . . . 0.01 110.973 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 610' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -66.74 -34.71 78.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.35 -0.981 . . . . 0.01 108.35 177.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.27 -27.82 69.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 0.01 109.717 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.29 -31.59 24.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.742 -1.117 . . . . 0.01 110.249 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.01 110.939 179.454 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 111.545 0.202 . . . . 0.01 111.545 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.57 106.13 0.53 Allowed Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 120.606 -0.438 . . . . 0.01 109.901 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.17 119.64 5.68 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.355 2.037 . . . . 0.01 112.724 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.98 147.39 3.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.955 1.77 . . . . 0.01 111.802 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.67 24.96 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.639 -0.791 . . . . 0.01 112.804 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -37.71 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.01 110.91 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -65.2 -47.31 77.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.01 111.008 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.57 -29.57 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.01 111.186 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.69 -39.99 66.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.7 0.286 . . . . 0.01 111.123 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.0 mt -75.94 -29.4 58.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.01 110.752 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -47.15 78.16 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.093 -0.503 . . . . 0.01 111.379 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.64 -42.71 67.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.349 -0.929 . . . . 0.01 111.749 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 45.4 t80 -73.45 -48.04 36.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.01 110.897 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.7 m -51.37 -59.74 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.55 . . . . 0.01 111.766 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 p -57.12 -31.78 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 0.01 111.862 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' OE1' ' CZ ' ' A' ' 31' ' ' PHE . 3.7 tt0 -73.82 -45.06 53.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.817 0.341 . . . . 0.01 110.944 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.6 t -53.84 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.01 110.8 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.49 -34.9 60.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.01 111.822 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -68.79 -34.51 75.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.031 0.382 . . . . 0.01 112.031 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -104.14 -29.61 10.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.756 0.28 . . . . 0.01 111.756 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 56.97 82.55 0.24 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.495 -0.32 . . . . 0.01 110.765 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -84.99 162.62 11.74 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.882 2.388 . . . . 0.01 112.553 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.59 -27.32 6.3 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.464 2.109 . . . . 0.01 112.062 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -132.43 137.35 47.26 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.946 0.403 . . . . 0.01 110.809 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -83.25 -37.18 23.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.908 -0.587 . . . . 0.01 110.66 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.4 -42.13 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.01 111.534 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.31 -50.16 23.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.06 0.457 . . . . 0.01 110.776 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' CZ ' ' OE1' ' A' ' 19' ' ' GLU . 43.1 t80 -59.25 -25.05 63.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.08 -0.509 . . . . 0.01 111.376 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -74.94 -44.59 47.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.364 0.505 . . . . 0.01 112.364 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -28.78 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.079 -0.712 . . . . 0.01 109.079 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.18 -33.6 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.01 110.442 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -78.76 -38.9 37.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.955 -0.566 . . . . 0.01 111.78 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.9 -52.63 9.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.349 0.5 . . . . 0.01 112.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.4 p -52.76 -55.07 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.059 -0.256 . . . . 0.01 111.263 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -49.96 -52.04 36.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.83 0.348 . . . . 0.01 110.653 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.36 -55.51 10.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.01 110.347 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.01 110.832 179.377 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo . . . . . 0 N--CA 1.458 -0.564 0 N-CA-C 112.732 0.243 . . . . 0.01 112.732 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.62 6.66 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.205 -0.522 . . . . 0.01 112.966 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -47.71 -50.21 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.512 0.196 . . . . 0.01 111.192 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.9 m -54.41 -46.35 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.01 111.365 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.45 -41.05 96.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.01 112.117 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.42 -57.44 12.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.517 0.199 . . . . 0.01 111.292 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.46 -32.94 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.01 110.001 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.72 -45.17 60.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.71 -0.677 . . . . 0.01 110.888 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.16 -35.72 65.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.95 -0.643 . . . . 0.01 112.784 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 63.0 t80 -79.87 -45.25 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.01 111.097 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 89.0 m -58.14 -37.78 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.01 111.182 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -29.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.703 -0.68 . . . . 0.01 110.84 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.11 -43.37 24.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.01 110.36 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' GLN . 21.5 t -57.8 -41.09 78.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.228 0.537 . . . . 0.01 110.29 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.15 -49.49 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.766 -0.652 . . . . 0.01 111.384 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -67.9 -27.81 66.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.16 0.8 . . . . 0.01 113.16 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -109.57 -51.82 2.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.833 0.308 . . . . 0.01 111.833 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 20' ' ' VAL . 44.9 mt-30 66.05 86.5 0.13 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.01 110.288 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -86.32 173.7 6.46 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.933 2.422 . . . . 0.01 112.549 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.42 -27.58 11.07 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.429 2.086 . . . . 0.01 112.407 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.5 138.59 47.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.151 0.5 . . . . 0.01 110.831 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -83.66 -38.42 21.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.01 110.235 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.38 -39.5 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 0.01 111.654 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -70.88 -56.45 6.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.84 0.352 . . . . 0.01 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -56.77 -25.02 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.01 111.416 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -74.22 -41.67 60.99 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.294 0.479 . . . . 0.01 112.294 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.27 -59.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.922 0.392 . . . . 0.01 110.944 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -50.9 -33.11 22.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.01 111.818 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -68.73 -49.73 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.685 0.254 . . . . 0.01 111.685 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.22 -36.04 69.03 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.984 -0.287 . . . . 0.01 111.439 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 58.7 p -63.71 -43.53 96.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.228 0.537 . . . . 0.01 109.972 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -40.6 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.01 110.249 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.25 -53.47 10.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.01 110.867 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.01 111.588 -179.426 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 113.132 0.79 . . . . 0.01 113.132 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -47.58 -26.76 1.56 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.321 0.489 . . . . 0.01 112.321 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.48 -28.64 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 0.01 110.806 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -80.12 -46.57 16.21 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.776 0.322 . . . . 0.01 111.585 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -57.03 -43.78 82.27 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.039 -0.356 . . . . 0.01 110.039 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -66.73 -59.6 3.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.493 0.553 . . . . 0.01 112.493 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.14 -36.34 18.88 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.124 0.416 . . . . 0.01 112.124 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.65 -34.39 77.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.01 110.556 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.13 -46.58 73.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.01 110.558 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.76 43.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.073 0.398 . . . . 0.01 112.073 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.5 t -74.42 -37.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.491 0.552 . . . . 0.01 112.491 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.7 -39.46 94.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.01 109.795 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.63 -56.49 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.01 111.171 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -26.87 38.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 112.116 0.413 . . . . 0.01 112.116 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -75.05 -47.79 27.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.311 -0.404 . . . . 0.01 110.139 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -62.49 -23.96 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.639 -0.504 . . . . 0.01 109.639 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.34 -58.95 2.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.01 112.438 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.92 -31.33 2.13 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.604 0.594 . . . . 0.01 112.604 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 14.5 ptp -72.45 -33.14 66.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.01 111.655 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -48.49 71.86 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.009 -0.367 . . . . 0.01 110.009 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.0 -20.39 57.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.117 0.484 . . . . 0.01 110.353 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.21 -44.07 10.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.715 -0.675 . . . . 0.01 111.065 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 0.01 111.227 -179.753 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 112.135 0.42 . . . . 0.01 112.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.8 mm -49.58 108.01 0.9 Allowed Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 110.081 -0.341 . . . . 0.01 110.081 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -52.39 163.91 1.53 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.111 1.874 . . . . 0.01 112.873 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -93.18 149.08 2.49 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.959 2.44 . . . . 0.01 111.376 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.17 17.61 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.528 -0.844 . . . . 0.01 112.59 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.28 -60.46 2.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.935 0.398 . . . . 0.01 111.147 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.413 ' O ' HG22 ' C' ' 604' ' ' VAL . 1.2 p -48.62 -45.74 38.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.904 -0.589 . . . . 0.01 111.687 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.49 -35.76 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.01 111.292 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.71 -44.05 51.98 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.206 0.447 . . . . 0.01 112.206 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.81 -34.89 69.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.704 0.288 . . . . 0.01 111.283 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' C' ' 604' ' ' VAL . 0.2 OUTLIER -59.89 -41.34 91.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.01 111.176 -179.105 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.42 -45.6 83.2 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.384 -0.913 . . . . 0.01 111.325 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -70.19 -47.82 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.01 109.809 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -55.41 -57.97 9.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.496 -0.775 . . . . 0.01 112.099 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.97 -33.39 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.89 -0.595 . . . . 0.01 112.499 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.72 -42.84 39.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.943 -0.303 . . . . 0.01 110.908 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 24' ' ' GLN . 15.2 t -54.95 -39.33 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.01 110.631 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.36 -42.36 59.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.01 110.799 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -66.19 -23.2 66.41 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.248 0.462 . . . . 0.01 112.248 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -112.87 -44.83 3.25 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.869 0.322 . . . . 0.01 111.869 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . 29.7 mm-40 63.56 79.13 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.107 -0.331 . . . . 0.01 110.107 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.47 172.38 9.3 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.824 2.35 . . . . 0.01 112.603 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -74.71 -31.64 6.55 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.5 2.133 . . . . 0.01 112.413 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.76 132.18 41.97 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.036 0.446 . . . . 0.01 110.97 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.95 -55.95 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.891 -0.595 . . . . 0.01 110.409 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -49.18 -38.59 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-O 120.868 0.366 . . . . 0.01 110.683 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -68.51 -56.13 9.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.01 110.488 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.67 -25.13 16.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.01 111.826 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.475 ' CB ' ' CE1' ' B' ' 36' ' ' PHE . . . -73.11 -45.37 57.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.755 0.28 . . . . 0.01 111.755 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -35.53 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.808 -1.182 . . . . 0.01 107.808 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.91 -36.56 82.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.931 0.396 . . . . 0.01 110.355 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -79.02 -48.96 13.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.59 0.589 . . . . 0.01 112.59 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -68.91 -48.17 63.96 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.569 0.581 . . . . 0.01 112.569 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.4 p -54.58 -48.58 71.93 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.801 -0.36 . . . . 0.01 111.043 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -50.0 -55.86 12.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.01 110.719 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -44.39 64.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.143 -0.48 . . . . 0.01 110.485 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.01 110.798 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo . . . . . 0 N--CA 1.459 -0.504 0 CA-C-O 120.843 0.268 . . . . 0.01 112.574 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.8 -26.68 16.9 Favored Glycine 0 C--N 1.335 0.515 0 CA-C-N 116.004 -0.544 . . . . 0.01 112.67 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.72 -45.81 67.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.472 0.177 . . . . 0.01 110.823 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -54.54 -49.14 70.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.133 0.492 . . . . 0.01 110.673 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.41 -29.58 66.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.728 -0.669 . . . . 0.01 111.113 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -57.7 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.01 110.892 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.08 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.01 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.487 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 31.5 mt-30 -70.49 -39.76 74.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.01 110.558 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.03 82.86 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.945 -0.645 . . . . 0.01 113.009 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -79.5 -46.09 18.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.01 110.908 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.7 -53.84 51.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.413 -0.358 . . . . 0.01 111.401 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.03 -31.05 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.01 111.491 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -53.3 7.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.745 -0.662 . . . . 0.01 110.548 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -43.01 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.291 0.567 . . . . 0.01 110.228 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.9 -49.63 74.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.383 -0.826 . . . . 0.01 111.647 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -85.67 -22.83 27.7 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.496 0.924 . . . . 0.01 113.496 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -96.93 -47.62 5.75 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.828 0.347 . . . . 0.01 111.411 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.66 83.72 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.01 110.597 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -85.69 171.18 8.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.762 2.308 . . . . 0.01 112.803 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -73.97 -33.29 6.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.596 2.197 . . . . 0.01 112.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -132.8 144.72 50.42 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.041 0.448 . . . . 0.01 110.779 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.8 mm? -82.92 -42.83 17.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.677 -0.692 . . . . 0.01 110.759 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -57.94 -56.57 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.01 111.326 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.11 -56.47 20.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.01 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -57.24 -27.64 62.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.01 111.193 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.71 -47.1 19.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.01 111.58 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.53 -59.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.01 110.934 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -52.98 -45.17 67.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.206 -0.452 . . . . 0.01 111.006 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.01 110.512 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 32' ' ' ALA . 5.0 m-85 -64.18 -42.8 96.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.769 -0.196 . . . . 0.01 110.926 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 65.4 p -61.64 -41.02 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.01 109.909 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -55.77 -44.78 78.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.578 -0.737 . . . . 0.01 110.655 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tt -67.79 -55.91 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.01 110.499 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.01 111.26 179.734 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.866 1.062 . . . . 0.01 113.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -46.07 -30.34 1.84 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.638 0.977 . . . . 0.01 113.638 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 47.3 mm -75.77 -28.52 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.861 0.319 . . . . 0.01 111.861 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 594' ' ' TRP . . . . . 0.487 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 73.3 t-105 -80.81 -48.03 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.94 0.719 . . . . 0.01 112.94 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -58.68 -42.14 87.83 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.01 110.57 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -66.9 -60.48 2.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.361 0.504 . . . . 0.01 112.361 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.09 -34.69 14.39 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.508 0.558 . . . . 0.01 112.508 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.7 -31.73 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.01 110.323 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -70.21 -45.92 65.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.01 110.408 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -53.71 -32.63 52.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.335 0.495 . . . . 0.01 112.335 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 41.3 t -82.78 -38.01 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 112.413 0.523 . . . . 0.01 112.413 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.44 -35.56 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 0.01 109.754 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -57.0 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.635 . . . . 0.01 111.148 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 604' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 10' ' ' THR . 8.9 p -60.29 -26.74 37.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.899 0.381 . . . . 0.01 111.896 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -72.72 -50.06 27.1 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.113 -0.494 . . . . 0.01 110.282 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -25.12 68.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.481 . . . . 0.01 110.012 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 607' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' C' ' 610' ' ' THR . 18.2 mt-30 -79.97 -57.48 3.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.266 0.469 . . . . 0.01 112.266 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.89 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.884 -0.51 . . . . 0.01 112.341 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -67.19 -33.52 75.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 0.01 110.876 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 610' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -70.6 -38.2 73.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.232 -0.655 . . . . 0.01 109.232 178.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.02 -27.47 69.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.394 0.616 . . . . 0.01 109.863 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.82 -55.67 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.121 -0.945 . . . . 0.01 111.396 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.01 112.574 -178.731 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.078 0 N-CA-C 112.534 -0.226 . . . . 0.01 112.534 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -58.97 -173.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.733 0.302 . . . . 0.01 110.974 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 15.4 ptp -139.89 -45.18 0.43 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.384 -0.371 . . . . 0.01 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 168.24 162.91 21.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.792 -0.718 . . . . 0.01 112.436 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 68.0 m -74.27 -7.19 51.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.606 0.241 . . . . 0.01 111.384 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 11.1 tpt -53.0 -26.93 16.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.753 0.311 . . . . 0.01 111.271 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 72.0 p -167.08 120.06 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.01 110.988 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -150.91 103.26 3.05 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.257 -0.429 . . . . 0.01 110.568 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.561 ' O ' ' O ' ' A' ' 4' ' ' GLN . 31.9 mt -125.2 -54.66 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 115.669 -0.696 . . . . 0.01 110.473 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.561 ' O ' ' O ' ' A' ' 3' ' ' ILE . 18.1 pt20 38.98 119.01 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.408 0.892 . . . . 0.01 113.408 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.7 mm -46.26 104.65 0.41 Allowed Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.364 -0.236 . . . . 0.01 110.364 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.22 154.17 19.41 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.06 1.84 . . . . 0.01 112.465 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.13 156.44 17.39 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.456 2.104 . . . . 0.01 112.211 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.04 -21.57 7.86 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.843 -0.694 . . . . 0.01 113.372 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -29.26 66.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.016 0.408 . . . . 0.01 110.789 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -47.57 69.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.01 111.859 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.44 -31.19 70.33 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.0 -0.28 . . . . 0.01 111.52 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.17 -46.17 71.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.636 0.255 . . . . 0.01 111.452 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.3 mt -73.43 -32.15 64.23 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.555 -0.293 . . . . 0.01 111.086 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -47.23 84.99 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.873 0.368 . . . . 0.01 110.333 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.51 -48.09 55.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.864 -0.684 . . . . 0.01 111.88 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 49.7 t80 -70.43 -49.12 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.054 0.454 . . . . 0.01 110.635 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -57.18 -59.88 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.752 -0.658 . . . . 0.01 112.105 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.12 -29.53 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.926 0.343 . . . . 0.01 111.926 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -77.48 -33.04 54.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.622 0.249 . . . . 0.01 111.419 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -62.34 -39.28 83.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.564 -0.289 . . . . 0.01 111.537 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.67 -47.57 25.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.01 111.192 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -50.62 -36.06 33.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.01 111.956 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -107.63 -29.39 9.18 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.687 0.255 . . . . 0.01 111.687 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' VAL . 7.4 mt-30 56.31 71.24 1.23 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.01 110.679 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.65 165.25 27.21 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.766 2.31 . . . . 0.01 112.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -88.56 -16.24 2.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.695 2.263 . . . . 0.01 113.694 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -132.28 140.58 48.67 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 121.21 0.529 . . . . 0.01 111.617 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -92.39 -43.84 9.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.01 110.55 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.34 -45.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.01 110.511 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.12 -55.87 7.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.01 110.266 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 66.3 t80 -54.85 -25.6 29.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.01 111.203 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -73.32 -52.1 15.12 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 111.935 0.346 . . . . 0.01 111.935 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.468 ' O ' ' OG1' ' A' ' 37' ' ' THR . 9.0 p -70.29 -29.16 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.333 -0.617 . . . . 0.01 109.333 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.61 -38.53 73.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.86 0.362 . . . . 0.01 110.484 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -78.69 -44.34 23.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.487 0.551 . . . . 0.01 112.487 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.13 -51.09 26.96 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.537 0.569 . . . . 0.01 112.537 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 68.6 p -55.47 -51.99 65.1 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.628 -0.429 . . . . 0.01 111.222 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -53.32 -50.56 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.01 110.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.39 -52.94 19.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.345 -0.389 . . . . 0.01 110.645 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -61.3 -56.42 20.67 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.01 111.226 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -50.15 -24.79 2.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.01 111.608 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.55 -29.49 1.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.695 0.283 . . . . 0.01 111.548 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 168.59 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.01 111.213 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.31 -0.852 . . . . 0.01 111.653 179.184 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.465 -0.254 . . . . 0.01 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -169.35 -55.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.704 0.287 . . . . 0.01 111.147 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 13.7 ptp -99.12 30.98 3.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.189 -0.46 . . . . 0.01 110.863 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 175.61 80.2 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.607 -0.806 . . . . 0.01 112.649 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 3.2 m -171.1 98.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.01 110.75 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' MET . . . . . 0.439 ' O ' ' CB ' ' B' ' -1' ' ' SER . 93.1 mmm -143.87 34.53 1.25 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.01 110.829 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' B' ' -2' ' ' MET . 0.9 OUTLIER 86.02 -30.87 0.05 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.061 -0.518 . . . . 0.01 111.18 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.575 ' O ' ' HB ' ' B' ' 3' ' ' ILE . 2.3 p-80 -130.06 22.31 5.31 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.458 -0.337 . . . . 0.01 110.327 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.575 ' HB ' ' O ' ' B' ' 2' ' ' HIS . 4.0 mm 83.02 -87.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.411 -0.813 . . . . 0.01 110.604 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 180.0 69.71 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.024 0.379 . . . . 0.01 112.024 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 2.1 mp -68.7 116.23 38.65 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 110.332 -0.247 . . . . 0.01 110.332 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -46.05 117.86 2.1 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.274 1.983 . . . . 0.01 112.356 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -44.53 139.22 7.2 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.307 2.005 . . . . 0.01 112.779 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.8 15.68 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.017 -0.611 . . . . 0.01 112.423 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.675 0.274 . . . . 0.01 110.663 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -55.56 -47.06 76.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.98 0.419 . . . . 0.01 110.843 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -67.26 -39.23 86.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.01 111.733 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.24 -51.83 67.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.5 0.19 . . . . 0.01 110.918 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.15 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.45 -0.574 . . . . 0.01 109.45 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.68 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.01 110.878 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.72 43.09 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.01 -0.614 . . . . 0.01 112.674 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -80.62 -47.56 13.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.01 111.302 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -54.7 -47.72 73.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.01 111.981 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -51.46 -31.4 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.133 0.492 . . . . 0.01 111.023 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.439 ' OE1' ' CE2' ' B' ' 31' ' ' PHE . 18.1 tt0 -76.01 -42.07 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.01 110.475 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' GLN . 48.8 t -60.09 -47.38 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.01 110.876 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.42 -49.4 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.01 112.067 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -84.77 -22.81 29.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.027 0.751 . . . . 0.01 113.027 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -97.4 -45.42 6.46 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.949 0.404 . . . . 0.01 111.181 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 20' ' ' VAL . 41.3 mm-40 57.7 85.98 0.17 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.01 110.659 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.49 169.04 5.96 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.103 2.535 . . . . 0.01 112.731 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.98 -37.56 6.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.269 1.979 . . . . 0.01 111.559 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -133.01 134.07 43.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.127 -0.488 . . . . 0.01 110.591 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -73.13 -44.18 60.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.01 111.077 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 10.1 p -63.12 -44.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.01 111.664 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.94 -33.9 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.756 0.312 . . . . 0.01 110.898 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.439 ' CE2' ' OE1' ' B' ' 19' ' ' GLU . 39.9 t80 -72.24 -29.19 63.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.568 -0.287 . . . . 0.01 110.896 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.87 -52.55 8.7 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.389 -0.368 . . . . 0.01 111.549 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 m -45.99 -43.92 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.01 111.513 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -72.99 -35.63 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.01 111.079 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.72 -39.15 90.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.01 111.295 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -77.51 -34.54 54.02 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.713 0.264 . . . . 0.01 111.713 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 69.3 p -66.92 -43.2 83.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.111 0.482 . . . . 0.01 110.046 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -60.9 -39.99 91.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.01 110.422 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.05 -55.9 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.01 111.155 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -68.09 -56.82 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.479 -0.328 . . . . 0.01 111.459 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -52.81 -24.67 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.628 -0.26 . . . . 0.01 111.592 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.96 -38.71 72.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.655 0.264 . . . . 0.01 111.322 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -121.5 -168.68 1.73 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.332 -0.394 . . . . 0.01 111.111 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.239 -0.886 . . . . 0.01 111.332 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.785 0.326 . . . . 0.01 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 31.9 ttp -169.51 -59.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.01 110.853 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -169.28 32.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.01 111.088 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -99.45 75.44 1.96 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.158 -0.474 . . . . 0.01 110.943 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 14.7 tt -68.76 -41.05 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.01 111.191 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -85.53 -151.22 15.45 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.996 -0.621 . . . . 0.01 112.566 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 77.5 p -171.35 112.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.724 0.297 . . . . 0.01 110.898 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -57.13 -59.8 4.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.403 . . . . 0.01 111.112 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 8.2 p 59.43 -164.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.01 110.829 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 91.23 -53.22 3.18 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.94 -0.648 . . . . 0.01 112.552 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -175.94 -169.71 0.35 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.563 0.221 . . . . 0.01 110.556 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' C' ' 590' ' ' PRO . 20.9 t 74.7 118.87 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.137 -0.483 . . . . 0.01 111.907 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' C' ' 589' ' ' VAL . 60.7 Cg_exo -53.13 -156.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.539 2.159 . . . . 0.01 112.964 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 -78.87 0.38 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.104 -0.498 . . . . 0.01 111.845 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -51.22 -24.73 4.62 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.925 0.343 . . . . 0.01 111.925 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.47 -28.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.01 110.313 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -80.22 -48.49 13.02 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 112.009 0.374 . . . . 0.01 112.009 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -57.31 -44.86 84.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.884 -0.413 . . . . 0.01 109.884 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -64.63 -59.46 4.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.344 . . . . 0.01 111.631 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.74 13.64 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.601 0.593 . . . . 0.01 112.601 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.75 -35.88 81.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.549 0.214 . . . . 0.01 110.806 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.77 -46.2 79.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.268 -0.271 . . . . 0.01 110.268 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.362 0.504 . . . . 0.01 112.362 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 38.2 t -69.64 -38.08 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.01 112.063 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -65.58 -37.99 88.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.917 0.389 . . . . 0.01 110.052 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.1 -57.17 7.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 0.01 110.927 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.17 -26.92 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 112.098 0.406 . . . . 0.01 112.098 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -72.53 -47.58 47.21 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.512 -0.313 . . . . 0.01 110.186 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -67.77 -24.92 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 0.01 110.481 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -59.37 2.77 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.101 0.408 . . . . 0.01 112.101 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.64 -31.45 2.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.945 -0.472 . . . . 0.01 111.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -31.85 71.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.028 -0.533 . . . . 0.01 110.289 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 2.8 m -67.73 -41.07 84.04 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.681 -0.488 . . . . 0.01 109.681 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.29 -23.83 57.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.01 109.941 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 61.9 mt -86.84 -47.51 8.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.58 -0.736 . . . . 0.01 110.787 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -50.52 -26.57 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.01 111.231 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 19.98 12.74 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.334 -0.394 . . . . 0.01 111.277 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.273 -0.87 . . . . 0.01 111.636 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.523 -0.231 . . . . 0.01 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -170.74 138.07 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.667 0.27 . . . . 0.01 111.106 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 26.2 tpp 71.73 30.86 2.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.01 110.404 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 61.16 173.89 1.23 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.896 -0.669 . . . . 0.01 112.507 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 69.4 m -66.38 -43.74 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.01 110.859 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.12 157.42 26.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.01 111.033 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.2 p 62.11 33.71 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.01 111.3 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -162.98 113.33 1.41 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.759 0.314 . . . . 0.01 111.242 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -149.65 -70.13 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.01 110.778 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER 67.49 105.44 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.048 -0.524 . . . . 0.01 111.246 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.3 mm -43.21 102.39 0.28 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.587 -0.278 . . . . 0.01 111.082 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.6 108.25 0.18 Allowed 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.486 2.124 . . . . 0.01 112.824 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.99 150.87 6.26 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.238 1.959 . . . . 0.01 112.331 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.1 -24.9 5.75 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.788 -0.72 . . . . 0.01 113.367 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -62.09 -32.97 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.179 0.49 . . . . 0.01 110.559 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.01 110.646 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.78 -28.04 68.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.407 . . . . 0.01 111.19 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.35 -41.83 65.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.708 0.29 . . . . 0.01 111.303 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -75.18 -28.56 60.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 0.01 111.033 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -47.12 81.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.01 110.74 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.22 60.51 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.454 -0.879 . . . . 0.01 111.349 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 54.5 t80 -75.34 -50.64 15.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.903 0.382 . . . . 0.01 110.926 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -51.77 -59.95 3.72 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.096 -0.502 . . . . 0.01 111.694 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.44 -32.06 16.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.01 110.949 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -52.87 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.242 -0.436 . . . . 0.01 111.201 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -48.0 -37.82 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.01 111.198 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.62 -52.22 11.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.01 112.297 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -22.96 63.41 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.498 0.555 . . . . 0.01 112.498 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -98.83 -34.56 10.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.884 0.373 . . . . 0.01 111.215 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 57.06 73.57 0.77 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.01 110.723 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.82 163.28 16.07 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 0.01 112.444 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.16 -31.1 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.547 2.165 . . . . 0.01 112.569 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.24 139.84 48.44 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.091 0.472 . . . . 0.01 110.98 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.02 -28.8 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.01 110.931 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 t -75.17 -56.32 9.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.887 0.375 . . . . 0.01 111.194 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.16 92.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.01 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.23 -25.06 66.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.01 111.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -70.55 -43.16 70.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.664 -0.244 . . . . 0.01 111.637 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -55.5 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.164 -0.68 . . . . 0.01 109.164 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.25 -37.0 15.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.72 0.295 . . . . 0.01 111.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -78.65 -50.89 10.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.357 0.503 . . . . 0.01 112.357 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 6.4 m-85 -67.0 -38.05 85.31 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 111.722 0.267 . . . . 0.01 111.722 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.2 p -63.23 -51.31 66.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.01 110.953 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' ALA . 16.2 mmt180 -57.62 -48.84 78.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.01 111.08 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.37 -56.01 9.25 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.385 -0.371 . . . . 0.01 110.928 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -64.46 -47.3 79.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.01 111.181 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.86 -26.23 68.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.01 111.249 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' ARG . . . -52.33 -48.97 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.01 111.234 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -83.75 171.23 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.104 -0.498 . . . . 0.01 110.85 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.199 -0.905 . . . . 0.01 111.243 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.523 -0.231 . . . . 0.01 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -74.18 121.06 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.312 . . . . 0.01 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 37.0 ttp -79.8 -59.09 2.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.432 -0.349 . . . . 0.01 110.95 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 59.15 -90.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.01 112.551 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 60.7 p -170.2 142.11 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.331 . . . . 0.01 110.798 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -167.48 130.29 1.67 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.315 -0.402 . . . . 0.01 110.815 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.22 105.32 14.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.23 -0.441 . . . . 0.01 111.442 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.421 ' CD2' ' C ' ' B' ' 2' ' ' HIS . 2.9 t60 176.83 129.14 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.767 -0.457 . . . . 0.01 109.767 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -156.47 179.01 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.745 -0.661 . . . . 0.01 110.915 -179.107 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -165.97 88.13 0.38 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.137 0.494 . . . . 0.01 111.539 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' B' ' 4' ' ' GLN . 43.9 mm -17.15 100.96 0.05 OUTLIER Pre-proline 0 N--CA 1.47 0.554 0 CA-C-N 114.947 -1.024 . . . . 0.01 112.982 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.55 166.78 0.71 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 121.845 1.697 . . . . 0.01 111.622 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -86.0 137.34 5.39 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.666 2.244 . . . . 0.01 112.839 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -27.95 16.26 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 121.034 -0.603 . . . . 0.01 112.897 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -50.56 -47.54 57.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.53 0.205 . . . . 0.01 111.223 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -54.66 -48.88 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.01 111.422 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -54.89 -53.65 52.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.01 111.768 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -50.49 -57.61 7.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.614 -0.266 . . . . 0.01 111.374 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.6 -23.85 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.01 110.38 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -43.68 74.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 0.01 110.747 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.55 -34.28 80.7 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.917 -0.659 . . . . 0.01 113.114 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -78.26 -49.5 13.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.52 0.2 . . . . 0.01 111.45 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -52.84 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.01 111.326 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 m -47.97 -36.57 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.965 0.412 . . . . 0.01 111.944 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -79.09 -52.62 7.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.01 110.834 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 24' ' ' GLN . 96.5 t -48.38 -54.41 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.01 110.634 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.1 -41.09 82.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.01 110.952 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -71.83 -25.68 62.07 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.756 0.65 . . . . 0.01 112.756 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -104.45 -45.01 4.77 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.797 0.332 . . . . 0.01 111.708 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' B' ' 20' ' ' VAL . 36.4 mm-40 61.65 79.34 0.28 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.104 -0.498 . . . . 0.01 110.295 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -82.33 167.69 15.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.61 2.207 . . . . 0.01 112.776 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.55 -35.04 18.26 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.421 2.08 . . . . 0.01 111.805 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -132.45 131.96 42.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.987 -0.551 . . . . 0.01 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.49 -36.73 74.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.01 110.721 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.59 -52.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.01 111.076 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.07 -42.55 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.01 111.169 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -72.0 -26.14 62.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.456 -0.338 . . . . 0.01 111.225 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.21 -44.72 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.01 111.927 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -35.71 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.01 111.833 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -77.9 -40.22 40.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.841 0.353 . . . . 0.01 111.388 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -60.03 -52.86 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 0.01 110.965 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 26.4 m-85 -62.94 -46.89 85.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.259 -0.176 . . . . 0.01 111.415 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -58.51 -37.17 75.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.994 0.426 . . . . 0.01 110.007 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.52 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.614 . . . . 0.01 109.731 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -52.39 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.01 110.549 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -54.52 -59.23 4.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.01 111.009 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -55.75 -45.57 78.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.849 -0.614 . . . . 0.01 111.365 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' B' ' 43' ' ' ARG . . . -70.0 -29.6 66.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.342 -0.39 . . . . 0.01 111.405 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.542 ' NE ' ' O ' ' B' ' 43' ' ' ARG . 0.0 OUTLIER 27.24 43.89 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.111 0.564 . . . . 0.01 112.404 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.317 -0.849 . . . . 0.01 110.998 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.815 0.341 . . . . 0.01 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 83.3 mmm -144.73 -66.43 0.33 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.161 -0.472 . . . . 0.01 110.699 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -160.87 44.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.01 110.636 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.83 84.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.006 -0.543 . . . . 0.01 110.639 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 15.8 mm -133.19 130.4 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.082 -0.508 . . . . 0.01 110.798 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -70.43 -106.82 0.04 OUTLIER Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.82 -0.705 . . . . 0.01 112.461 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 53.7 p -171.82 128.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.711 0.291 . . . . 0.01 110.794 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -76.32 -73.02 0.3 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.329 -0.396 . . . . 0.01 111.165 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 6.9 t -177.77 153.78 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.337 -0.392 . . . . 0.01 110.877 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 159.08 -35.02 0.49 Allowed Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.041 -0.599 . . . . 0.01 112.497 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . 0.517 ' O ' ' CG2' ' C' ' 589' ' ' VAL . 1.0 OUTLIER 46.87 77.24 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.927 -0.768 . . . . 0.01 108.927 -178.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' C' ' 588' ' ' TYR . 1.2 m 77.01 148.13 0.12 Allowed Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.328 -0.851 . . . . 0.01 110.696 -178.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -77.52 36.74 0.57 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.393 2.062 . . . . 0.01 113.354 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 62.42 -74.73 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.888 1.07 . . . . 0.01 113.888 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -48.15 -23.46 0.86 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.583 0.957 . . . . 0.01 113.583 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -26.1 11.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.114 -0.366 . . . . 0.01 111.07 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -73.04 -47.62 43.24 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.67 -0.241 . . . . 0.01 111.08 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -57.4 -43.15 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.01 108.729 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -66.99 -56.89 8.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.211 -0.449 . . . . 0.01 111.18 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.28 -38.05 17.85 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 120.983 0.42 . . . . 0.01 110.74 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.23 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.792 -0.64 . . . . 0.01 110.698 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.2 -44.76 83.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.2 -0.296 . . . . 0.01 110.2 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -55.25 -36.04 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 0.01 111.709 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 23.3 t -80.0 -45.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.089 0.403 . . . . 0.01 112.089 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.51 -37.58 87.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.778 0.323 . . . . 0.01 110.248 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -70.07 -57.26 5.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.31 -0.405 . . . . 0.01 111.438 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.62 -28.11 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 112.521 0.563 . . . . 0.01 112.521 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 17.8 ttpp -76.4 -47.01 24.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.916 -0.583 . . . . 0.01 111.382 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -63.32 -31.84 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.119 -0.491 . . . . 0.01 111.782 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -77.43 -48.33 17.46 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.519 0.563 . . . . 0.01 112.519 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.56 -31.81 3.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.385 0.539 . . . . 0.01 110.92 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 27.1 ttp -64.88 -36.65 85.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.543 -0.753 . . . . 0.01 110.123 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 69.3 m -67.25 -39.52 86.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.01 109.465 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.3 -26.8 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.712 -0.676 . . . . 0.01 109.724 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.6 -49.22 6.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.094 -0.957 . . . . 0.01 110.766 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -58.12 -20.58 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.01 111.369 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.26 63.92 0.44 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.919 0.39 . . . . 0.01 111.038 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.01 111.058 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.462 -0.255 . . . . 0.01 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 57.07 -85.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.569 0.223 . . . . 0.01 111.275 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 22.2 ttp -111.91 -57.36 2.27 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.825 0.345 . . . . 0.01 110.899 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -61.3 -178.58 2.64 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.706 -0.759 . . . . 0.01 112.591 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 73.3 m -166.29 175.27 8.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.01 110.737 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -141.78 145.28 34.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.238 -0.437 . . . . 0.01 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 57.9 p -147.27 -83.75 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.247 -0.433 . . . . 0.01 110.569 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 170.81 -40.74 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.543 -0.299 . . . . 0.01 110.524 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -152.73 152.65 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.128 -0.487 . . . . 0.01 110.069 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.19 110.55 4.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.461 -0.336 . . . . 0.01 111.117 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.4 mm -52.58 106.11 0.61 Allowed Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.907 -0.405 . . . . 0.01 109.907 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.4 138.29 70.21 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.09 1.86 . . . . 0.01 112.636 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -61.91 160.87 27.7 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.882 1.721 . . . . 0.01 112.048 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.3 -23.99 3.75 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.01 114.033 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -53.2 33.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.522 0.661 . . . . 0.01 110.915 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -45.11 61.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.01 111.352 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.38 -38.32 77.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 0.01 111.204 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.43 -43.47 66.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.407 . . . . 0.01 111.268 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 mt -75.34 -31.91 60.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.01 111.188 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.84 -43.03 94.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.514 -0.312 . . . . 0.01 111.214 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.95 -41.63 77.56 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.551 -0.833 . . . . 0.01 111.816 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 48.0 t80 -70.64 -48.4 55.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.373 . . . . 0.01 111.12 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -55.67 -59.87 4.24 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.872 0.693 . . . . 0.01 112.872 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.1 m -48.98 -26.97 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 111.671 0.249 . . . . 0.01 111.671 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.02 -44.91 21.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.666 0.247 . . . . 0.01 111.666 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.8 t -57.57 -38.91 66.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.01 111.456 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 mt -74.41 -35.59 63.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.136 -0.484 . . . . 0.01 111.275 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.21 -23.1 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.288 0.477 . . . . 0.01 112.288 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -106.22 -41.98 5.19 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.653 0.263 . . . . 0.01 111.494 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 59.97 78.59 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.01 110.837 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -82.31 170.18 13.56 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.686 2.257 . . . . 0.01 112.396 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.42 -33.07 7.35 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.421 2.081 . . . . 0.01 112.254 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.86 153.21 51.54 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.248 0.547 . . . . 0.01 111.17 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.73 -42.6 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.309 -0.859 . . . . 0.01 110.813 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.58 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.01 111.523 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.28 -50.79 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.01 110.4 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -56.05 -25.21 44.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.817 -0.628 . . . . 0.01 111.527 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.83 -44.07 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.285 . . . . 0.01 111.141 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.98 -56.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.637 -0.875 . . . . 0.01 108.637 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -47.73 -35.44 9.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.737 0.273 . . . . 0.01 111.737 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.57 -55.62 5.06 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.902 0.704 . . . . 0.01 112.902 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -75.41 -38.13 60.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.139 0.422 . . . . 0.01 112.139 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -66.26 -43.31 86.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.01 111.54 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -77.53 -25.78 50.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.01 110.767 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 tp -59.44 -55.17 37.99 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.388 -0.369 . . . . 0.01 110.299 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -46.06 -37.11 6.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.904 0.383 . . . . 0.01 110.977 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.28 -36.37 46.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.01 110.929 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.82 92.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.01 111.057 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -86.86 160.59 18.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.177 -0.465 . . . . 0.01 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.01 111.253 179.823 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.526 -0.23 . . . . 0.01 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -170.16 127.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.698 0.285 . . . . 0.01 111.088 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 70.7 mtm -89.46 -62.3 1.51 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.346 -0.388 . . . . 0.01 110.827 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 160.44 125.82 0.8 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.936 -0.649 . . . . 0.01 112.337 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 54.0 p -171.92 135.96 0.86 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.795 0.331 . . . . 0.01 111.009 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 6.4 mmt -146.25 138.71 25.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.244 -0.435 . . . . 0.01 110.597 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 67.5 m -167.4 -40.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.01 110.879 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.73 98.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.279 0.561 . . . . 0.01 110.454 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 14.1 mm -154.68 -49.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.455 -0.793 . . . . 0.01 110.003 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -45.66 137.97 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.454 -0.794 . . . . 0.01 111.955 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.92 115.33 19.95 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.327 -0.397 . . . . 0.01 110.567 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.75 166.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.141 1.894 . . . . 0.01 112.502 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.59 100.11 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.614 2.209 . . . . 0.01 112.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.45 -28.94 3.08 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.957 -0.639 . . . . 0.01 112.866 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.63 -47.18 82.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.836 0.31 . . . . 0.01 111.836 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.1 m -54.49 -48.14 72.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.873 -0.331 . . . . 0.01 111.882 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.32 -29.86 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.631 -0.259 . . . . 0.01 111.519 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.25 -57.47 8.38 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.399 -0.223 . . . . 0.01 110.399 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.78 -35.16 68.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.539 -0.541 . . . . 0.01 109.539 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -68.19 -44.16 76.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.715 -0.675 . . . . 0.01 110.995 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.88 -35.92 49.02 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.94 -0.647 . . . . 0.01 112.629 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -80.06 -46.77 15.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.379 . . . . 0.01 111.059 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m -55.8 -49.73 72.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 0.01 112.331 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 m -51.88 -33.01 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 121.198 0.523 . . . . 0.01 111.397 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.74 -38.6 53.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.507 -0.77 . . . . 0.01 110.678 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' B' ' 24' ' ' GLN . 77.7 t -60.91 -50.68 79.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.01 110.747 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.257 -0.429 . . . . 0.01 111.013 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -74.2 -23.36 59.19 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.97 0.73 . . . . 0.01 112.97 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -109.98 -52.34 2.78 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.686 0.279 . . . . 0.01 111.651 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' B' ' 20' ' ' VAL . 48.1 mt-30 64.28 83.64 0.19 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.186 -0.461 . . . . 0.01 110.6 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -86.61 173.59 6.21 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.847 2.365 . . . . 0.01 112.781 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.13 -28.36 9.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.653 2.235 . . . . 0.01 112.375 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -132.21 135.46 46.33 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.026 0.441 . . . . 0.01 110.893 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -78.59 -41.58 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.01 111.17 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 10.4 p -67.36 -46.94 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.01 111.389 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -59.21 -56.37 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.01 111.206 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.49 -25.72 38.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.212 -0.449 . . . . 0.01 111.098 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.98 -48.02 17.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.01 111.842 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.9 -55.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.01 110.821 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.54 -39.98 81.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.849 -0.614 . . . . 0.01 111.209 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.28 -60.33 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.01 111.201 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.402 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 39.1 m-85 -59.53 -42.99 93.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.537 0.208 . . . . 0.01 111.51 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -57.49 -31.27 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.01 110.623 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -76.89 -36.74 56.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.014 -0.539 . . . . 0.01 110.588 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -56.1 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.01 111.56 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -69.67 -29.31 66.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.01 111.845 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.26 -23.7 40.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.01 111.033 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.15 -32.13 24.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.01 111.331 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.36 176.81 8.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.89 0.376 . . . . 0.01 111.024 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.263 -0.875 . . . . 0.01 111.337 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.728 0.299 . . . . 0.01 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 55.8 mtt -63.97 148.49 49.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.366 -0.379 . . . . 0.01 110.829 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.93 52.24 2.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.01 111.134 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -169.43 32.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.01 111.111 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 19.4 mm -137.52 103.17 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.204 -0.453 . . . . 0.01 110.894 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -97.81 87.65 0.87 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.166 -0.54 . . . . 0.01 112.549 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 1.4 t 76.71 -53.44 0.58 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.551 0.215 . . . . 0.01 111.399 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 77.82 -58.69 0.46 Allowed 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.51 -0.314 . . . . 0.01 111.374 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 75.2 p -165.35 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.57 -0.287 . . . . 0.01 111.188 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 97.88 66.61 0.9 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.14 -0.552 . . . . 0.01 112.318 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . 0.429 ' O ' HG21 ' C' ' 589' ' ' VAL . 7.0 t80 -45.61 140.64 3.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.01 111.811 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . 0.429 HG21 ' O ' ' C' ' 588' ' ' TYR . 0.6 OUTLIER 68.57 140.82 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.588 -0.733 . . . . 0.01 111.11 -179.386 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' C' ' 592' ' ' GLU . 73.7 Cg_endo -71.82 46.77 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.099 2.533 . . . . 0.01 114.22 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 59.66 -70.48 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.309 0.855 . . . . 0.01 113.309 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' C' ' 590' ' ' PRO . 11.1 tt0 -49.08 -26.46 2.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.01 111.982 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 2.0 mm -73.34 -26.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.01 110.225 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . 0.432 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 58.8 t-105 -78.59 -47.9 16.23 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.398 -0.364 . . . . 0.01 111.271 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -45.12 81.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.196 -0.668 . . . . 0.01 109.196 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.05 -57.88 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.01 111.771 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -40.71 28.77 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 120.866 0.365 . . . . 0.01 111.567 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.15 -34.73 76.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.093 -0.503 . . . . 0.01 110.486 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -64.47 -45.35 87.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.01 110.264 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.56 -43.92 72.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.01 112.044 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.7 -44.63 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.365 0.505 . . . . 0.01 112.365 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -61.81 -34.78 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.01 110.582 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -74.02 -53.41 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.237 -0.438 . . . . 0.01 111.372 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.35 -29.71 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 113.185 0.809 . . . . 0.01 113.185 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -44.9 40.25 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.99 -0.374 . . . . 0.01 109.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -63.86 -23.79 67.49 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.339 -0.615 . . . . 0.01 109.339 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.48 -55.25 5.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.097 -0.501 . . . . 0.01 111.921 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.05 -33.95 2.32 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.483 0.549 . . . . 0.01 112.483 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -27.51 62.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.03 -0.532 . . . . 0.01 110.588 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 14.4 m -74.28 -42.07 60.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.01 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.58 -32.69 70.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.19 -0.459 . . . . 0.01 111.323 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 4.2 pp -89.35 -24.58 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.115 -0.493 . . . . 0.01 111.611 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -75.74 6.42 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.419 -0.355 . . . . 0.01 111.036 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.21 30.76 4.18 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.899 0.38 . . . . 0.01 110.956 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.265 -0.874 . . . . 0.01 111.084 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.484 -0.247 . . . . 0.01 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -170.9 123.06 0.6 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.702 0.287 . . . . 0.01 111.106 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 6.8 tpt 75.99 29.37 0.79 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.273 -0.421 . . . . 0.01 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 63.36 -127.67 37.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.862 -0.685 . . . . 0.01 112.625 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 55.3 p -56.25 -179.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.671 0.272 . . . . 0.01 110.954 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.07 105.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.265 -0.425 . . . . 0.01 110.701 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.4 t -146.87 -153.41 0.49 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.389 -0.368 . . . . 0.01 111.002 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -155.43 117.03 4.02 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.935 0.397 . . . . 0.01 110.257 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.8 mt -137.52 149.23 25.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.842 -0.617 . . . . 0.01 110.104 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -152.42 116.18 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.636 -0.257 . . . . 0.01 111.341 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.7 mm -39.29 100.69 0.22 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 120.591 0.234 . . . . 0.01 110.721 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.09 111.32 0.46 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.606 2.204 . . . . 0.01 113.144 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.42 144.33 24.7 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.038 1.825 . . . . 0.01 112.084 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.25 -26.46 7.84 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.71 -0.757 . . . . 0.01 113.262 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.83 -42.91 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 0.01 110.62 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.4 m -57.39 -42.34 82.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 0.01 111.642 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -29.69 70.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.594 -0.275 . . . . 0.01 111.09 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.59 -43.48 63.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.01 111.01 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.25 -40.49 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.01 111.068 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.58 -42.32 74.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.01 111.078 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.15 -49.41 59.66 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.867 -0.683 . . . . 0.01 112.306 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.39 -42.19 96.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.525 -0.546 . . . . 0.01 109.525 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -55.17 -59.58 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.01 112.159 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 m -55.39 -33.38 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.416 -0.357 . . . . 0.01 111.742 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.6 -45.51 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.729 0.299 . . . . 0.01 110.797 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -66.67 -34.03 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.263 0.554 . . . . 0.01 109.974 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mp -74.56 -37.43 62.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.56 -0.745 . . . . 0.01 110.468 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -85.46 -23.04 27.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.267 -0.424 . . . . 0.01 111.928 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -51.8 2.83 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.66 0.244 . . . . 0.01 111.66 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 65.57 91.57 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.397 -0.365 . . . . 0.01 110.658 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.47 173.81 2.12 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.112 2.541 . . . . 0.01 112.724 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -74.47 -31.03 7.53 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.443 2.095 . . . . 0.01 111.986 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -132.61 137.05 46.91 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.037 0.446 . . . . 0.01 110.836 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.96 -53.03 7.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 0.01 111.01 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -55.26 -38.77 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.01 110.869 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -53.56 28.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.843 -0.617 . . . . 0.01 110.479 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -58.42 -28.42 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.01 111.607 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.37 -42.03 88.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.541 -0.299 . . . . 0.01 111.166 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.521 ' O ' ' OG1' ' A' ' 37' ' ' THR . 0.2 OUTLIER -66.82 -59.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.993 -1.114 . . . . 0.01 107.993 177.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -49.34 -32.59 11.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.849 0.357 . . . . 0.01 110.945 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -78.77 -49.03 13.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.263 0.468 . . . . 0.01 112.263 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -73.22 -50.76 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.394 0.516 . . . . 0.01 112.394 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -55.38 -48.64 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.579 0.228 . . . . 0.01 111.589 -178.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.685 0.254 . . . . 0.01 111.685 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.48 -55.06 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.01 110.81 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -51.36 -25.81 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.01 111.416 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -80.3 -28.94 38.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.36 . . . . 0.01 110.89 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.12 57.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.01 111.328 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -131.03 -170.34 2.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.326 -0.397 . . . . 0.01 110.856 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.207 -0.901 . . . . 0.01 111.35 179.662 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.394 -0.282 . . . . 0.01 112.394 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -171.25 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.01 111.036 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 21.5 ttt -169.66 133.47 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.01 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -174.75 73.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.788 -0.72 . . . . 0.01 112.571 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 20.6 t -67.06 -44.67 79.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.01 110.982 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 21.3 mmt 54.31 28.88 9.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.01 111.003 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.5 m 57.73 61.64 2.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.01 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.433 ' CD2' ' NE2' ' C' ' 613' ' ' GLN . 2.3 t-160 -169.63 -158.5 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.01 110.011 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 tt -167.14 157.78 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 112.793 0.664 . . . . 0.01 112.793 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -141.66 128.92 21.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.456 -0.793 . . . . 0.01 109.758 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.46 144.98 87.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.342 -0.39 . . . . 0.01 111.096 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.69 165.15 18.13 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.785 2.324 . . . . 0.01 112.258 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -85.91 147.81 9.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.678 2.252 . . . . 0.01 112.902 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.1 -36.66 3.59 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.908 -0.663 . . . . 0.01 112.866 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.08 -45.37 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.65 0.262 . . . . 0.01 111.005 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.9 m -54.88 -45.83 74.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.895 0.378 . . . . 0.01 110.822 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -62.77 -33.05 74.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.891 -0.595 . . . . 0.01 111.756 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.93 -47.78 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.578 0.227 . . . . 0.01 111.295 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.95 -53.53 48.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.721 -0.218 . . . . 0.01 111.54 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.401 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -57.88 -31.12 66.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.612 -0.435 . . . . 0.01 110.997 -179.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.8 -35.46 82.32 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.594 -0.812 . . . . 0.01 111.675 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -79.7 -42.64 24.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.013 0.435 . . . . 0.01 109.934 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -56.16 -45.21 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.644 . . . . 0.01 111.855 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -54.97 -28.68 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.841 0.353 . . . . 0.01 111.35 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -79.12 -47.54 15.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.168 -0.469 . . . . 0.01 110.588 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' B' ' 24' ' ' GLN . 29.4 t -52.95 -47.36 53.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.183 0.516 . . . . 0.01 110.145 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.98 -42.92 91.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.01 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.46 -23.22 40.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.296 0.85 . . . . 0.01 113.296 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -107.59 -50.41 3.07 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.008 0.373 . . . . 0.01 112.008 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 63.28 76.83 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.302 -0.408 . . . . 0.01 109.941 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -80.23 170.46 16.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.687 2.258 . . . . 0.01 112.766 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -71.47 -32.93 11.6 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.499 2.132 . . . . 0.01 112.091 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.53 136.8 46.87 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.114 0.483 . . . . 0.01 110.717 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 mt -72.32 -40.41 67.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.63 -0.713 . . . . 0.01 111.137 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.71 -56.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.01 111.068 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -48.87 23.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.894 0.378 . . . . 0.01 110.773 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -69.06 -25.43 64.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.01 111.583 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.79 -46.21 22.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.722 0.296 . . . . 0.01 111.72 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.543 ' O ' ' OG1' ' B' ' 37' ' ' THR . 0.0 OUTLIER -54.96 -59.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.01 109.92 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.93 -35.48 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.01 111.403 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -68.8 -52.76 26.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.544 -0.298 . . . . 0.01 111.471 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.71 -45.67 28.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.567 0.222 . . . . 0.01 111.548 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.543 ' OG1' ' O ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER -60.73 -27.29 67.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.642 -0.254 . . . . 0.01 111.239 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -75.45 -36.35 60.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.963 0.411 . . . . 0.01 109.939 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.06 -48.58 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.01 110.248 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -58.96 -38.4 78.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.796 -0.638 . . . . 0.01 111.11 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -80.68 -25.08 38.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.448 -0.342 . . . . 0.01 111.203 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.75 -27.93 22.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.355 -0.384 . . . . 0.01 112.012 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.34 147.77 47.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.806 0.336 . . . . 0.01 111.056 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.274 -0.87 . . . . 0.01 110.861 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.829 0.347 . . . . 0.01 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 27.2 mmt -143.51 -44.93 0.28 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.01 110.704 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 63.93 80.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.01 111.23 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -88.62 163.9 15.61 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.109 -0.496 . . . . 0.01 110.858 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.63 -24.09 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.404 . . . . 0.01 111.233 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -147.73 -169.68 15.17 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 121.063 -0.589 . . . . 0.01 112.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 15.4 t -99.74 -58.89 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.841 0.353 . . . . 0.01 111.031 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 60.44 95.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.01 111.015 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 3.7 m 62.15 -176.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.145 -0.48 . . . . 0.01 110.997 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -85.05 50.61 4.42 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.906 -0.664 . . . . 0.01 112.667 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . 0.534 ' O ' HG23 ' C' ' 589' ' ' VAL . 3.0 t80 52.54 78.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.726 -0.842 . . . . 0.01 108.726 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . 0.534 HG23 ' O ' ' C' ' 588' ' ' TYR . 0.8 OUTLIER 59.1 132.25 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.569 -0.741 . . . . 0.01 110.126 -178.302 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' C' ' 592' ' ' GLU . 36.9 Cg_endo -66.89 103.33 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.96 1.773 . . . . 0.01 113.022 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' C' ' 590' ' ' PRO . 44.9 mt-10 14.47 -76.22 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.439 1.274 . . . . 0.01 114.439 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' C' ' 590' ' ' PRO . 53.2 mt-10 -45.19 -29.62 0.99 Allowed 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.924 0.713 . . . . 0.01 112.924 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 23.7 mm -74.64 -27.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.747 -0.206 . . . . 0.01 111.25 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . 0.401 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 64.7 t-105 -79.85 -47.36 15.26 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.01 111.263 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -56.05 -44.74 79.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.51 -0.552 . . . . 0.01 109.51 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -66.13 -58.17 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.01 111.615 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.52 20.49 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.819 0.342 . . . . 0.01 111.7 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.9 -39.74 79.57 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.196 -0.456 . . . . 0.01 111.424 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.91 -44.09 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.241 -0.281 . . . . 0.01 110.241 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.03 -55.02 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.998 0.37 . . . . 0.01 111.998 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.73 -39.04 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.01 112.503 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.77 -37.93 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.778 -0.823 . . . . 0.01 108.778 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.89 -51.77 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.01 110.591 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 1.4 m -59.81 -28.1 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.489 . . . . 0.01 111.719 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -76.03 -49.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 0.01 110.838 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.394 -0.367 . . . . 0.01 110.572 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . 0.501 ' O ' ' OG1' ' C' ' 610' ' ' THR . 13.9 mt-30 -79.4 -54.94 5.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.103 -0.499 . . . . 0.01 112.006 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.42 -33.23 3.76 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.192 0.52 . . . . 0.01 111.546 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 4.0 mtm -69.57 -34.24 73.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.674 . . . . 0.01 111.048 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 610' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -65.67 -35.81 81.86 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.975 -0.75 . . . . 0.01 108.975 178.546 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.17 -24.86 67.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.367 0.603 . . . . 0.01 109.494 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.63 -51.43 5.53 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.129 -0.942 . . . . 0.01 110.867 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . 0.433 ' NE2' ' CD2' ' B' ' 2' ' ' HIS . 4.2 mm-40 -53.13 -23.66 8.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.01 111.219 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.99 68.69 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 0.01 111.241 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.255 -0.879 . . . . 0.01 111.16 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.527 -0.229 . . . . 0.01 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -66.76 79.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.01 111.104 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 3.6 tpt -169.17 64.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.01 110.854 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 173.32 152.02 8.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.01 112.567 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 36.5 m -168.47 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.01 110.605 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 14.1 ptp -66.8 -179.47 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.01 110.699 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.0 t -154.43 119.69 5.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.519 -0.31 . . . . 0.01 110.952 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 176.7 -54.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.198 -0.456 . . . . 0.01 110.086 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 mt -139.54 154.48 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.01 109.897 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -148.63 105.84 3.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.729 -0.214 . . . . 0.01 111.549 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.9 mm -39.23 99.23 0.19 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.022 0.202 . . . . 0.01 111.118 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.85 112.03 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.394 2.063 . . . . 0.01 112.502 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -45.82 157.12 0.37 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.206 1.937 . . . . 0.01 112.321 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.7 -20.7 17.64 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.874 -0.679 . . . . 0.01 112.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.33 -32.84 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.927 0.394 . . . . 0.01 110.645 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.51 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.01 110.937 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -65.57 -34.15 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.01 111.76 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -44.58 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.823 0.344 . . . . 0.01 111.385 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.93 -28.02 61.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.01 110.842 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.7 -44.54 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 0.01 110.578 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.71 -46.38 82.63 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.567 -0.825 . . . . 0.01 111.656 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -71.06 -47.22 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.01 110.064 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.6 m -58.43 -60.52 3.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.935 -0.575 . . . . 0.01 112.123 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.62 -26.31 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.693 0.282 . . . . 0.01 111.571 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -79.0 -41.43 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.01 111.126 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -39.2 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 0.01 110.747 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' B' ' 3' ' ' ILE . 1.1 mt -75.88 -49.04 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.01 111.242 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -63.02 -23.3 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.157 0.428 . . . . 0.01 112.157 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -37.09 5.98 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.689 0.255 . . . . 0.01 111.689 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 19.2 mm-40 59.16 74.55 0.58 Allowed Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.01 109.818 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.39 166.06 14.17 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.965 2.443 . . . . 0.01 113.264 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.04 -31.31 3.06 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.734 2.29 . . . . 0.01 112.672 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.23 145.22 51.18 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.288 0.566 . . . . 0.01 110.77 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.1 mt -86.64 -47.96 8.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.822 . . . . 0.01 110.966 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 p -52.92 -40.59 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.01 111.18 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -73.84 -56.18 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.01 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -49.66 -27.69 4.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.01 111.96 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.6 -43.75 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.603 -0.271 . . . . 0.01 111.581 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -28.82 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.645 -0.872 . . . . 0.01 108.645 178.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.55 -36.97 71.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.01 109.977 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -79.15 -47.0 16.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.932 -0.576 . . . . 0.01 112.364 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.43 -51.14 60.1 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 111.812 0.301 . . . . 0.01 111.812 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.4 p -52.63 -52.73 54.24 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.865 -0.334 . . . . 0.01 110.919 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -56.06 15.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.01 110.22 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.58 -51.83 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.92 -0.582 . . . . 0.01 110.346 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -55.92 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 0.01 111.165 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.72 -38.4 80.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 0.01 111.237 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.53 73.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.341 . . . . 0.01 111.333 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.92 147.69 26.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.233 -0.439 . . . . 0.01 111.022 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.01 111.211 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.586 -0.205 . . . . 0.01 112.586 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -168.82 -62.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.712 0.291 . . . . 0.01 111.171 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -141.5 -46.72 0.37 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.31 -0.404 . . . . 0.01 110.675 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' B' ' -3' ' ' SER . . . -167.46 -50.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.835 -0.697 . . . . 0.01 112.521 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' -4' ' ' GLY . 1.1 t 85.58 -25.16 0.12 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.569 0.348 . . . . 0.01 111.436 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.67 165.25 15.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.753 0.311 . . . . 0.01 110.409 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 23.1 t -169.55 94.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.01 111.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.04 -74.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.421 -0.585 . . . . 0.01 109.421 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.437 ' CG2' HD22 ' A' ' 21' ' ' LEU . 3.8 mp -154.33 155.38 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.491 -0.777 . . . . 0.01 110.227 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -163.7 134.96 4.67 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 111.862 0.319 . . . . 0.01 111.862 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.02 117.19 65.41 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.561 -0.29 . . . . 0.01 110.701 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.84 121.35 4.13 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.222 1.948 . . . . 0.01 112.055 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -43.62 142.07 3.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.354 2.036 . . . . 0.01 112.921 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -30.32 6.77 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.992 -0.623 . . . . 0.01 112.826 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.21 -42.63 77.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.596 0.236 . . . . 0.01 110.967 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -52.48 -39.98 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.01 110.675 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.29 -44.93 78.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.01 111.219 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.88 -52.76 59.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.708 -0.223 . . . . 0.01 110.779 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.59 -37.54 81.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.746 -0.464 . . . . 0.01 109.746 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.416 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 1.8 tt0 -66.14 -45.65 80.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.958 -0.565 . . . . 0.01 110.875 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.12 -36.54 52.32 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.184 -0.532 . . . . 0.01 112.656 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -79.69 -45.35 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.01 110.84 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.542 ' O ' HG13 ' B' ' 20' ' ' VAL . 2.0 m -61.74 -29.41 70.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.399 0.518 . . . . 0.01 112.399 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.4 -28.37 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.204 -0.599 . . . . 0.01 110.286 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -79.25 -47.62 15.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.78 -0.645 . . . . 0.01 110.902 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.542 HG13 ' O ' ' B' ' 17' ' ' THR . 5.9 p -53.05 -44.12 49.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.9 0.381 . . . . 0.01 110.678 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -49.21 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.01 110.668 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -69.99 -23.47 63.15 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.987 0.736 . . . . 0.01 112.987 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -101.57 -45.83 5.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.89 0.376 . . . . 0.01 111.738 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 64.21 71.17 0.6 Allowed Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.839 -0.619 . . . . 0.01 110.62 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -83.51 163.86 14.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.055 2.503 . . . . 0.01 112.392 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -76.54 -26.64 8.35 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.511 2.14 . . . . 0.01 113.118 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -132.42 136.91 47.07 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.086 0.469 . . . . 0.01 111.167 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -83.3 -44.91 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.01 110.583 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.04 -39.42 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.01 111.022 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -71.47 -56.01 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.01 110.353 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.14 -28.82 55.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.995 -0.548 . . . . 0.01 111.141 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 -51.24 10.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.01 112.049 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.19 -36.22 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.805 0.298 . . . . 0.01 111.805 -178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -77.87 -36.01 50.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.903 0.383 . . . . 0.01 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.37 -44.99 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.01 110.795 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.44 -41.95 75.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.22 -0.192 . . . . 0.01 111.492 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -60.61 -40.1 90.62 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.108 0.48 . . . . 0.01 110.082 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -58.5 -42.68 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.714 -0.675 . . . . 0.01 110.339 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.14 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.528 . . . . 0.01 110.85 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -49.02 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.01 111.511 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.47 -27.83 67.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.01 111.25 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.59 -39.04 77.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.01 111.309 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.51 151.18 22.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.256 -0.429 . . . . 0.01 111.125 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.275 -0.869 . . . . 0.01 111.219 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.65 0.262 . . . . 0.01 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 6.3 tpt 69.86 -62.58 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.01 111.019 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -162.57 31.34 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.459 -0.337 . . . . 0.01 110.912 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.25 179.45 4.03 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.016 -0.538 . . . . 0.01 110.584 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.27 -33.58 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.378 -0.374 . . . . 0.01 110.785 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 69.39 153.32 0.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.723 . . . . 0.01 112.664 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 17.1 t -167.42 128.71 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.732 0.301 . . . . 0.01 110.82 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' C' ' 587' ' ' GLY . . . -77.4 60.59 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.379 -0.373 . . . . 0.01 111.278 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 8.8 m 56.71 -82.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.476 . . . . 0.01 111.061 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' C' ' 585' ' ' ALA . . . 104.01 -38.69 3.12 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.273 -0.489 . . . . 0.01 112.516 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -93.56 22.24 5.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.01 111.525 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.18 121.21 61.15 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 116.107 -0.497 . . . . 0.01 110.366 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' C' ' 592' ' ' GLU . 68.3 Cg_endo -71.45 58.68 2.47 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.114 1.876 . . . . 0.01 113.505 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 53.75 -80.97 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.558 0.947 . . . . 0.01 113.558 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' C' ' 590' ' ' PRO . 50.2 mt-10 -45.33 -28.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.729 0.64 . . . . 0.01 112.729 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 7.8 mm -73.61 -27.97 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 0.01 111.213 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . 0.416 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 56.6 t-105 -80.16 -47.22 15.05 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 0.01 112.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -60.2 -41.33 92.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.367 -0.533 . . . . 0.01 110.278 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -69.3 -58.14 4.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.973 -0.291 . . . . 0.01 111.734 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -33.65 10.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.779 0.323 . . . . 0.01 111.396 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.01 110.787 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.05 -46.31 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.715 0.293 . . . . 0.01 110.3 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -50.93 -41.79 59.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.032 0.382 . . . . 0.01 112.032 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.83 -39.37 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.92 0.341 . . . . 0.01 111.92 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -66.2 -41.72 89.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.01 110.314 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.73 -57.16 8.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 0.01 110.855 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.11 -26.57 40.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.955 0.407 . . . . 0.01 111.887 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -73.13 -49.45 28.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.01 109.982 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -65.32 -23.77 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.01 110.048 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -79.61 -59.24 2.82 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.461 0.541 . . . . 0.01 112.461 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.19 -30.83 2.12 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.3 0.481 . . . . 0.01 112.3 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -63.78 -33.1 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.277 -0.419 . . . . 0.01 110.388 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 6.3 m -67.55 -42.26 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.652 -0.499 . . . . 0.01 109.652 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.48 -25.06 61.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.352 0.596 . . . . 0.01 110.104 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.7 -38.13 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.01 111.151 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -75.58 -5.15 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.01 112.1 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -169.6 32.25 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.647 0.61 . . . . 0.01 112.647 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.3 -0.857 . . . . 0.01 111.269 179.183 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.531 -0.228 . . . . 0.01 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 68.35 -65.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.579 0.214 . . . . 0.01 111.579 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 53.1 mtm -158.78 148.95 19.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.759 0.314 . . . . 0.01 110.511 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -167.54 -89.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.583 -0.818 . . . . 0.01 112.81 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 67.4 m -58.08 165.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.01 111.219 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.1 mmt -81.1 -77.61 0.2 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.182 -0.463 . . . . 0.01 111.085 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.7 m -165.65 83.34 0.33 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.465 -0.334 . . . . 0.01 111.12 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -136.45 49.63 2.08 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.296 0.57 . . . . 0.01 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.9 mm -133.4 155.63 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.212 -0.904 . . . . 0.01 110.142 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -157.16 109.43 2.44 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.038 0.385 . . . . 0.01 112.038 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.51 115.84 28.29 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.527 -0.306 . . . . 0.01 110.301 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.63 144.4 15.66 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.126 1.884 . . . . 0.01 112.178 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -86.21 34.86 0.47 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.329 2.019 . . . . 0.01 113.403 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.05 -39.8 0.47 Allowed Glycine 0 CA--C 1.51 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.01 111.658 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.01 110.656 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -61.05 -44.32 97.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.01 110.812 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -28.81 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.01 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.14 -39.94 62.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.01 111.172 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -73.45 -35.87 65.81 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.174 -0.466 . . . . 0.01 111.267 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.7 -43.57 97.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.537 -0.301 . . . . 0.01 111.426 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.21 65.2 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.267 -0.968 . . . . 0.01 111.356 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -71.83 -48.76 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.046 0.45 . . . . 0.01 110.207 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -56.83 -59.77 4.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.798 -0.637 . . . . 0.01 112.326 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -53.78 -28.12 16.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.01 111.941 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -78.83 -41.02 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.941 -0.304 . . . . 0.01 111.079 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 24' ' ' GLN . 45.1 t -60.41 -37.43 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.936 0.398 . . . . 0.01 110.689 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.32 -35.26 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.01 110.317 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -82.62 -23.41 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.159 0.429 . . . . 0.01 112.159 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -114.87 -49.55 2.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.098 0.407 . . . . 0.01 112.098 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.0 mt-30 66.17 92.79 0.06 OUTLIER Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.528 -0.305 . . . . 0.01 110.66 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -89.24 169.82 4.95 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.93 2.42 . . . . 0.01 112.553 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.25 -36.1 12.82 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.26 1.973 . . . . 0.01 111.75 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -132.8 133.8 43.85 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.044 -0.525 . . . . 0.01 110.779 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.16 -23.96 37.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.01 110.939 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 t -70.26 -50.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 0.01 111.034 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.82 -49.34 59.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.01 111.284 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -48.7 -25.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.01 111.978 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.26 -38.95 60.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.676 0.25 . . . . 0.01 111.676 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.62 -59.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.041 -0.726 . . . . 0.01 109.041 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.12 -30.71 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.594 -0.442 . . . . 0.01 110.947 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -78.62 -44.77 23.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.564 -0.289 . . . . 0.01 111.647 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.49 -41.69 46.2 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.989 -0.284 . . . . 0.01 111.329 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.0 p -58.5 -55.44 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.682 -0.236 . . . . 0.01 111.51 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -53.59 -36.23 61.71 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.945 0.402 . . . . 0.01 110.477 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.48 -52.38 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.01 109.855 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -50.66 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.634 . . . . 0.01 110.865 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.59 -34.32 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.01 111.31 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.22 -45.22 72.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.01 111.124 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -96.16 167.32 11.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.01 110.779 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.293 -0.861 . . . . 0.01 111.17 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.523 -0.231 . . . . 0.01 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -169.97 123.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.666 0.269 . . . . 0.01 111.087 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 15.8 ptp -106.24 -29.42 9.82 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.271 -0.422 . . . . 0.01 110.92 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 175.58 142.03 4.01 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.663 -0.779 . . . . 0.01 112.705 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 72.4 m -167.09 138.98 3.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 0.01 110.63 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -172.06 175.47 3.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.365 -0.379 . . . . 0.01 110.906 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 96.3 p -146.92 62.55 1.19 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.956 0.408 . . . . 0.01 111.171 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' B' ' 2' ' ' HIS . 0.7 OUTLIER -147.07 63.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.326 0.584 . . . . 0.01 110.208 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 9.5 mm -52.52 156.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.384 -0.825 . . . . 0.01 112.052 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -145.67 111.23 5.43 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.775 -0.648 . . . . 0.01 110.137 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 42.6 mm -58.92 112.37 4.95 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 115.88 -0.6 . . . . 0.01 111.703 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.16 163.78 2.11 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.991 1.794 . . . . 0.01 111.743 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -86.1 111.14 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.612 2.208 . . . . 0.01 112.98 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.11 -30.31 4.83 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.166 -0.54 . . . . 0.01 113.363 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -53.67 -42.75 68.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.569 0.223 . . . . 0.01 111.159 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.4 m -51.98 -40.9 61.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 0.01 111.385 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -74.16 -42.81 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.312 0.486 . . . . 0.01 112.312 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.46 -57.57 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.913 0.338 . . . . 0.01 111.913 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.75 -35.57 78.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.822 0.344 . . . . 0.01 110.274 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -63.74 -44.37 93.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.01 110.866 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -37.63 56.72 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.976 -0.631 . . . . 0.01 112.794 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 71.7 t80 -79.97 -47.18 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.01 111.306 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.7 m -55.73 -48.35 75.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.299 -0.409 . . . . 0.01 112.074 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.4 m -48.17 -25.95 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 111.828 0.307 . . . . 0.01 111.828 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.97 -40.98 30.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.4 -0.364 . . . . 0.01 111.465 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -43.28 90.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.821 0.343 . . . . 0.01 111.167 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.68 -53.4 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.397 -0.365 . . . . 0.01 111.522 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -79.01 -22.97 44.71 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.363 0.875 . . . . 0.01 113.363 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.87 -51.27 3.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.736 0.303 . . . . 0.01 111.246 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 63.98 65.25 1.19 Allowed Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.986 -0.552 . . . . 0.01 111.485 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.06 166.24 29.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.851 2.367 . . . . 0.01 112.221 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.03 -25.94 8.31 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.453 2.102 . . . . 0.01 113.175 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.36 134.0 44.66 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.097 0.475 . . . . 0.01 111.132 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mt -81.21 -50.52 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.01 111.077 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -58.96 -43.75 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 0.01 111.802 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -67.92 -56.5 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.01 110.936 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.41 -25.1 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.01 111.281 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.66 -38.29 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.248 0.462 . . . . 0.01 112.248 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 42.0 t -61.08 -51.63 70.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 0.01 110.74 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.44 -45.03 96.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.01 111.54 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.1 -60.32 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.01 111.418 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.95 -41.44 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.486 0.184 . . . . 0.01 111.11 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -64.67 -40.07 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.886 -0.412 . . . . 0.01 109.886 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -55.2 -46.83 75.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.01 110.308 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.52 -55.66 31.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.01 110.639 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -46.3 -63.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.01 111.609 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.44 -22.12 29.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 0.01 111.77 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.67 -36.27 51.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.01 111.091 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -91.92 160.18 15.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.325 -0.398 . . . . 0.01 111.03 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.154 -0.926 . . . . 0.01 111.246 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.755 0.312 . . . . 0.01 111.063 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 4.2 ptp -107.46 -29.13 9.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.057 -0.52 . . . . 0.01 110.93 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 61.66 -162.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.01 110.387 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.1 126.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.899 0.381 . . . . 0.01 111.223 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 19.2 tt -170.67 -41.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.01 111.121 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -75.17 -121.71 0.12 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.839 -0.696 . . . . 0.01 112.519 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 4.5 m 62.01 121.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.821 0.343 . . . . 0.01 110.998 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -155.95 24.54 0.38 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.298 -0.41 . . . . 0.01 111.346 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 2.3 m 67.21 -63.64 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.339 -0.391 . . . . 0.01 111.284 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' C' ' 588' ' ' TYR . . . -166.78 -127.67 0.92 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.812 -0.709 . . . . 0.01 112.396 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . 0.545 ' CB ' ' O ' ' C' ' 587' ' ' GLY . 21.1 t80 113.67 -35.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.391 1.077 . . . . 0.01 111.267 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' C' ' 590' ' ' PRO . 4.7 t -100.46 120.97 54.77 Favored Pre-proline 0 C--N 1.307 -1.246 0 CA-C-N 114.811 -1.086 . . . . 0.01 111.152 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' C' ' 589' ' ' VAL . 58.6 Cg_exo -52.58 -158.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.403 2.069 . . . . 0.01 113.019 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -99.74 -77.65 0.52 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.186 -0.461 . . . . 0.01 112.236 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.63 -21.88 7.67 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.933 0.345 . . . . 0.01 111.933 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 13.3 mm -73.42 -27.54 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.01 110.366 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . 0.442 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 34.0 t-105 -79.94 -46.98 15.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.981 0.363 . . . . 0.01 111.981 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -58.17 -43.72 87.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.457 -0.338 . . . . 0.01 110.196 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.76 -54.39 16.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.61 -0.436 . . . . 0.01 111.176 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.39 -34.08 15.36 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.927 0.343 . . . . 0.01 111.927 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.9 -33.72 76.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.457 -0.338 . . . . 0.01 110.175 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.42 -45.27 84.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.392 -0.367 . . . . 0.01 110.054 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -53.84 -37.84 64.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.01 111.967 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 48.7 t -78.31 -41.16 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.107 0.41 . . . . 0.01 112.107 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.96 -36.4 82.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.979 -0.378 . . . . 0.01 109.979 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.0 -56.96 6.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.01 111.412 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.43 -27.6 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.583 0.586 . . . . 0.01 112.583 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 0.6 OUTLIER -76.96 -48.61 17.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.484 0.55 . . . . 0.01 112.484 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.45 -32.53 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.618 -0.433 . . . . 0.01 110.443 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -79.4 -46.67 17.12 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.447 0.536 . . . . 0.01 112.447 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -48.23 -34.24 9.92 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.687 0.676 . . . . 0.01 111.11 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 5.4 ptm -65.9 -32.49 74.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.512 -0.767 . . . . 0.01 110.584 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 5.1 t -70.88 -31.7 68.44 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.911 -0.316 . . . . 0.01 110.2 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.45 -25.02 66.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.535 0.683 . . . . 0.01 109.875 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.4 -44.01 11.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.912 -1.04 . . . . 0.01 110.828 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -59.16 -20.08 50.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.01 111.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -97.63 28.92 3.54 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.845 0.355 . . . . 0.01 111.029 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.255 -0.879 . . . . 0.01 111.11 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.537 -0.225 . . . . 0.01 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 59.06 161.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.01 111.251 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 28.1 tpp 73.87 27.2 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.01 110.564 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -91.49 -125.16 3.31 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.982 -0.553 . . . . 0.01 112.397 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 27.7 t -69.35 169.64 11.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.783 0.325 . . . . 0.01 110.797 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 5.2 mmt -90.38 13.7 14.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.01 111.422 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.5 t 60.57 154.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.01 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 0.3 OUTLIER -100.75 47.7 0.92 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.311 0.577 . . . . 0.01 110.812 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.5 mt -135.37 29.66 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.35 -0.841 . . . . 0.01 109.51 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.36 125.13 25.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.832 -0.622 . . . . 0.01 111.708 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.0 mm -42.89 103.92 0.34 Allowed Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.85 -0.159 . . . . 0.01 110.654 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.27 111.57 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.614 2.21 . . . . 0.01 113.279 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.64 147.36 13.5 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.0 1.8 . . . . 0.01 111.931 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.24 -22.98 8.77 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.671 -0.776 . . . . 0.01 113.063 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.57 -41.88 77.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.977 0.388 . . . . 0.01 110.803 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -56.24 -41.36 75.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.01 111.137 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.63 -32.86 74.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.01 111.501 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.38 -42.62 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.01 111.119 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.34 -32.19 66.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.01 111.077 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.4 94.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.01 111.29 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.39 -44.79 66.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.577 -0.82 . . . . 0.01 111.823 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 41.5 t80 -73.62 -50.77 19.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.01 111.244 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -51.81 -58.52 6.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.01 111.929 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.33 -32.72 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.01 111.589 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -75.93 -43.93 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.01 111.523 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.56 -45.12 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.01 111.556 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -75.48 -32.96 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.01 112.031 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -60.64 -39.23 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.155 0.428 . . . . 0.01 112.155 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -111.09 -23.69 10.76 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.154 0.427 . . . . 0.01 112.154 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 55.05 86.38 0.17 Allowed Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 121.187 -0.205 . . . . 0.01 110.699 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -84.03 169.45 11.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.659 2.239 . . . . 0.01 112.461 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.25 -30.22 5.65 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.55 2.167 . . . . 0.01 112.527 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -132.72 140.17 47.96 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.115 0.483 . . . . 0.01 111.276 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.5 -53.57 6.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.554 -0.748 . . . . 0.01 110.373 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -53.95 -46.06 64.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.01 111.619 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.18 -55.96 15.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.996 0.427 . . . . 0.01 110.651 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.03 -25.31 29.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.858 -0.61 . . . . 0.01 111.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.2 -43.5 74.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.582 -0.281 . . . . 0.01 111.386 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.46 -57.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.927 -0.768 . . . . 0.01 108.927 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -47.79 -35.02 9.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 0.01 111.317 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -78.62 -49.99 12.27 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 0.01 112.083 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.2 -41.17 81.75 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.782 0.29 . . . . 0.01 111.782 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.0 p -59.12 -52.02 67.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.01 110.916 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -50.78 -55.43 16.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.311 -0.404 . . . . 0.01 110.608 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tt -50.88 -55.83 15.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.01 110.71 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -56.71 -52.52 64.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.186 -0.461 . . . . 0.01 110.994 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.97 -36.62 72.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.019 -0.537 . . . . 0.01 111.21 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.37 -45.06 69.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.01 111.083 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ptt180 -104.9 -175.08 2.69 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.076 -0.511 . . . . 0.01 110.689 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.26 -0.876 . . . . 0.01 111.333 179.49 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.512 -0.235 . . . . 0.01 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.4 104.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.775 0.321 . . . . 0.01 111.231 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 42.3 mtp -103.64 -67.32 0.9 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.227 -0.442 . . . . 0.01 110.676 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -72.12 76.54 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.844 -0.694 . . . . 0.01 112.375 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 37.8 m -170.75 -32.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.605 0.24 . . . . 0.01 111.27 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 19.2 mtt 67.7 148.35 0.05 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.933 0.397 . . . . 0.01 110.64 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 70.0 m -82.29 -32.41 29.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.01 111.667 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.588 ' O ' ' HB ' ' B' ' 3' ' ' ILE . 24.3 p-80 -141.49 -31.25 0.58 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.31 0.485 . . . . 0.01 112.31 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.588 ' HB ' ' O ' ' B' ' 2' ' ' HIS . 96.2 mt 88.9 102.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.184 0.594 . . . . 0.01 110.512 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -47.31 136.96 8.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.724 -0.671 . . . . 0.01 112.446 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 28.1 mt -92.45 145.12 29.94 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.336 -0.393 . . . . 0.01 110.78 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.91 158.7 56.88 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.454 2.103 . . . . 0.01 112.434 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -86.13 148.4 9.2 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.655 2.237 . . . . 0.01 112.837 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.19 -34.58 4.86 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.798 -0.715 . . . . 0.01 112.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.75 -42.77 65.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.594 0.235 . . . . 0.01 110.673 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -59.7 -51.88 67.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.044 0.449 . . . . 0.01 111.292 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.07 -44.63 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.01 111.876 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.97 -55.89 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.698 -0.228 . . . . 0.01 111.247 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.38 -31.6 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.01 110.225 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.17 -42.68 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.01 110.637 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.08 87.61 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.059 -0.591 . . . . 0.01 113.465 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -79.79 -48.69 13.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.611 0.243 . . . . 0.01 111.59 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -52.49 -53.23 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.086 0.402 . . . . 0.01 112.086 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 m -46.79 -35.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 111.968 0.358 . . . . 0.01 111.968 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.1 -34.87 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.01 111.06 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' B' ' 24' ' ' GLN . 26.4 t -64.92 -44.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.01 110.157 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.74 -53.33 59.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.795 -0.639 . . . . 0.01 112.131 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -71.41 -23.43 61.86 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.458 0.91 . . . . 0.01 113.458 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -107.86 -52.24 2.79 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.863 0.363 . . . . 0.01 111.67 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' B' ' 20' ' ' VAL . 45.3 mt-30 64.16 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.01 110.654 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -90.12 168.45 4.42 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.925 2.417 . . . . 0.01 112.491 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.89 -36.53 22.9 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.316 2.01 . . . . 0.01 112.004 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -132.97 135.89 45.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.192 -0.458 . . . . 0.01 111.164 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.51 -42.73 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.887 -0.597 . . . . 0.01 110.268 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.35 -37.58 74.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.01 110.807 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.14 -46.32 43.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.01 110.639 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -66.25 -26.0 67.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.294 -0.412 . . . . 0.01 111.007 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 -46.36 21.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.01 112.126 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 1.6 p -59.53 -31.84 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.863 0.363 . . . . 0.01 111.196 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.16 -44.13 26.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.068 -0.515 . . . . 0.01 111.152 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.42 -57.18 14.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.01 111.261 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 35.8 m-85 -59.38 -44.65 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 121.183 -0.207 . . . . 0.01 111.436 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 24.4 p -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.998 0.428 . . . . 0.01 110.278 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -56.78 -42.38 79.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.01 110.047 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.76 -52.1 66.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.01 110.585 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -46.8 87.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.01 111.123 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.46 -35.64 68.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.01 111.041 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.87 90.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.01 110.929 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -98.62 -179.41 4.3 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.14 -0.482 . . . . 0.01 110.955 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.262 -0.875 . . . . 0.01 111.25 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.735 0.302 . . . . 0.01 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 45.3 mtm -68.81 -49.64 56.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.01 110.938 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 59.18 88.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.01 111.253 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -100.49 162.79 12.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.01 110.888 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 37.8 mm -78.77 -35.87 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.01 111.014 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -171.79 -55.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.01 112.543 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 71.2 m -166.02 120.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.67 0.271 . . . . 0.01 110.953 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -77.23 -49.68 14.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.351 -0.386 . . . . 0.01 111.179 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 14.2 p 59.1 106.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.01 111.022 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -71.42 71.52 0.82 Allowed Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.893 -0.67 . . . . 0.01 112.495 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -51.75 151.21 3.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.876 0.37 . . . . 0.01 111.529 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 2.4 t 71.39 121.35 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.864 -0.607 . . . . 0.01 111.098 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' C' ' 591' ' ' GLU . 89.7 Cg_endo -76.16 105.73 2.13 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.26 1.974 . . . . 0.01 113.36 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' C' ' 590' ' ' PRO . 39.8 mt-10 13.06 -81.23 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.949 1.463 . . . . 0.01 114.949 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.48 -35.34 8.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.117 1.155 . . . . 0.01 114.117 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 20.9 mm -71.87 -27.72 28.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.974 -0.291 . . . . 0.01 110.772 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -79.86 -48.83 12.86 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 111.85 0.315 . . . . 0.01 111.85 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -54.92 -45.27 74.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.923 -0.399 . . . . 0.01 109.923 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -67.31 -59.33 3.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.556 0.576 . . . . 0.01 112.556 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.91 -37.92 21.2 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.173 0.435 . . . . 0.01 112.173 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.51 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.541 -0.3 . . . . 0.01 110.531 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.01 110.563 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.84 -47.01 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.985 0.365 . . . . 0.01 111.985 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 29.1 t -69.26 -42.95 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.33 0.493 . . . . 0.01 112.33 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -65.9 -38.1 87.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.802 0.334 . . . . 0.01 110.207 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.07 -57.09 5.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.01 111.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.86 -27.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.43 . . . . 0.01 111.834 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.95 -48.77 22.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 0.01 109.55 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -57.99 -27.27 63.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.01 109.451 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.33 -54.52 5.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.926 0.713 . . . . 0.01 112.926 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.96 -36.87 13.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.082 0.771 . . . . 0.01 113.082 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -70.34 -28.87 65.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.337 -0.545 . . . . 0.01 110.731 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 1.5 m -67.11 -38.32 85.43 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.389 -0.967 . . . . 0.01 108.389 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.94 -21.27 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.446 0.641 . . . . 0.01 109.404 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 2.0 mp -84.12 -44.65 13.8 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.906 -1.043 . . . . 0.01 110.615 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -65.07 -15.41 62.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 0.01 111.184 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -157.01 61.63 0.51 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.892 0.377 . . . . 0.01 110.921 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.28 -0.867 . . . . 0.01 111.072 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.524 -0.23 . . . . 0.01 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -69.05 139.79 54.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.01 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -18.24 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.01 111.069 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 98.81 94.54 2.03 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 121.036 -0.602 . . . . 0.01 112.34 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 31.2 t -153.67 143.59 21.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.331 . . . . 0.01 110.798 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 18.6 mmt 55.05 24.21 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.01 111.173 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.7 m -106.76 143.57 34.67 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.25 -0.432 . . . . 0.01 110.804 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 173.14 -36.81 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.927 -0.579 . . . . 0.01 110.331 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.0 mt -155.16 152.38 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.583 -0.735 . . . . 0.01 110.149 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.98 107.47 3.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.757 -0.201 . . . . 0.01 111.348 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.3 mm -42.07 100.92 0.23 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.634 -0.257 . . . . 0.01 110.618 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.05 114.49 1.42 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.599 2.2 . . . . 0.01 113.168 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.78 152.22 3.1 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.015 1.81 . . . . 0.01 111.966 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.91 -20.48 15.36 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.644 -0.789 . . . . 0.01 113.028 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -30.12 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.929 0.395 . . . . 0.01 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.417 ' O ' HG23 ' C' ' 604' ' ' VAL . 0.2 OUTLIER -69.21 -53.97 17.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.01 111.712 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -62.43 -26.83 68.71 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.778 -0.369 . . . . 0.01 111.093 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -44.7 62.05 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.764 0.283 . . . . 0.01 111.764 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.65 -31.24 63.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.01 110.995 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.42 ' N ' ' CG2' ' C' ' 604' ' ' VAL . 6.3 tt0 -62.32 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.01 110.644 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.52 87.53 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.43 -0.89 . . . . 0.01 111.353 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 48.2 t80 -71.03 -48.44 52.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.956 0.408 . . . . 0.01 110.978 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 m -56.26 -59.81 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.993 -0.549 . . . . 0.01 112.375 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.23 -28.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.01 111.575 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.4 -34.77 63.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.01 111.709 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -32.5 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 0.01 111.146 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -75.35 -51.34 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.01 112.023 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -74.97 -22.65 58.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.097 0.406 . . . . 0.01 112.097 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -93.84 -39.23 10.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.022 0.439 . . . . 0.01 110.734 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 58.39 75.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.671 -0.695 . . . . 0.01 111.275 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.55 163.68 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.084 2.522 . . . . 0.01 112.277 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.02 -30.8 2.04 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.526 2.151 . . . . 0.01 113.2 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -132.56 147.43 52.35 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.146 0.498 . . . . 0.01 111.328 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.92 -39.72 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.475 -0.784 . . . . 0.01 110.457 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.51 -42.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.01 110.873 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -74.47 -42.89 58.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.113 0.482 . . . . 0.01 110.163 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.48 -25.35 64.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 0.01 110.623 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.432 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.42 -49.38 42.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.029 -0.532 . . . . 0.01 111.758 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.424 ' O ' ' OG1' ' A' ' 37' ' ' THR . 9.5 p -72.24 -29.21 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.864 -0.421 . . . . 0.01 109.864 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.968 0.413 . . . . 0.01 110.712 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -78.89 -39.65 34.46 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.665 0.617 . . . . 0.01 112.665 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -76.23 -51.45 12.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.61 0.596 . . . . 0.01 112.61 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 47.4 p -52.61 -45.02 66.39 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.576 -0.45 . . . . 0.01 110.796 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -56.57 -51.39 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.01 110.549 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.86 -55.76 30.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.01 110.312 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.32 -58.44 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.01 110.89 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.35 -21.38 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.01 112.142 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.01 -40.87 23.95 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.604 0.224 . . . . 0.01 111.604 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' NE ' ' O ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -101.21 26.83 6.67 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.447 -0.342 . . . . 0.01 111.119 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.213 -0.899 . . . . 0.01 110.976 -179.883 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.456 -0.258 . . . . 0.01 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 60.23 112.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.719 0.295 . . . . 0.01 111.149 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 12.3 tpt -167.45 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.01 110.83 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 167.69 152.4 7.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.922 -0.656 . . . . 0.01 112.387 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 72.1 m -70.15 65.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.01 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.09 137.71 53.97 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.084 -0.507 . . . . 0.01 110.361 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 88.1 p -95.88 167.52 11.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.01 111.289 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.507 ' CG ' ' H ' ' B' ' 3' ' ' ILE . 7.1 p-80 -176.39 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.812 -0.631 . . . . 0.01 109.986 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.507 ' H ' ' CG ' ' B' ' 2' ' ' HIS . 4.7 mp -151.07 153.62 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.001 -0.545 . . . . 0.01 109.87 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -147.94 120.13 8.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.964 0.412 . . . . 0.01 111.365 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.08 113.58 8.23 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.946 -0.57 . . . . 0.01 110.945 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -48.83 111.32 0.45 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.979 1.786 . . . . 0.01 111.896 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -44.06 141.86 4.29 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.459 2.106 . . . . 0.01 113.031 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.86 36.4 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.985 -0.552 . . . . 0.01 112.539 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.0 -39.44 93.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.774 -0.25 . . . . 0.01 111.467 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -52.97 -47.27 68.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.886 0.328 . . . . 0.01 111.886 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.66 -28.13 67.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.506 -0.316 . . . . 0.01 111.531 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -55.67 15.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.305 -0.257 . . . . 0.01 110.305 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.6 -33.96 72.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.507 -0.553 . . . . 0.01 109.507 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -49.27 64.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.01 110.229 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.55 -36.02 52.99 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.502 -0.772 . . . . 0.01 112.606 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -80.42 -51.23 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.01 111.33 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.2 m -54.03 -49.91 67.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.01 111.901 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -48.86 -33.52 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.88 0.371 . . . . 0.01 111.342 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -76.92 -32.05 57.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.909 -0.587 . . . . 0.01 110.343 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 24' ' ' GLN . 92.2 t -68.23 -52.17 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.01 111.04 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.52 -37.42 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.959 -0.564 . . . . 0.01 111.747 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -85.57 -24.39 27.24 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.844 0.683 . . . . 0.01 112.844 -177.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -104.48 -37.61 7.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.653 0.263 . . . . 0.01 111.637 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' B' ' 20' ' ' VAL . 56.9 mt-30 57.63 84.22 0.21 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.01 110.801 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -87.81 171.59 5.88 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.109 2.539 . . . . 0.01 112.634 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.1 -33.52 9.41 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.466 2.11 . . . . 0.01 111.979 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -132.65 169.49 16.57 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.034 0.445 . . . . 0.01 110.634 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.88 -40.87 6.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.552 -0.749 . . . . 0.01 110.002 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.6 -40.3 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.01 111.223 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.51 -34.5 70.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.807 0.337 . . . . 0.01 110.871 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.67 -28.98 61.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.972 0.415 . . . . 0.01 110.344 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.8 -49.7 13.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.019 -0.537 . . . . 0.01 111.406 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 14.4 m -50.86 -47.7 29.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 0.01 110.763 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -65.91 -33.01 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.01 110.904 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -69.92 -44.51 69.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.01 111.673 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -77.75 -27.62 50.47 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.947 0.351 . . . . 0.01 111.947 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 74.0 p -72.9 -35.65 67.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.774 0.321 . . . . 0.01 110.708 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -69.05 -35.74 76.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.01 110.25 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.89 -55.83 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.01 111.095 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -58.81 -59.3 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.01 111.03 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.65 -35.2 41.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.369 . . . . 0.01 111.165 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.551 ' O ' ' O ' ' B' ' 43' ' ' ARG . . . -75.93 -32.56 59.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.01 111.035 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.551 ' O ' ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER 37.38 -175.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.282 0.633 . . . . 0.01 112.438 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.303 -0.856 . . . . 0.01 111.103 -179.433 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.791 0.329 . . . . 0.01 111.041 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -151.75 169.4 22.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.01 110.853 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -163.29 105.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.01 110.834 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -149.94 106.07 3.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.01 110.739 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 57.5 mt -123.09 -41.18 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.091 -0.504 . . . . 0.01 110.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 88.97 159.69 35.61 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.957 -0.64 . . . . 0.01 112.533 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 18.2 t -139.94 -46.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.775 0.321 . . . . 0.01 110.74 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 60.54 92.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.01 111.28 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 23.0 t -113.54 -170.97 1.8 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.024 -0.534 . . . . 0.01 110.72 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' C' ' 588' ' ' TYR . . . -63.6 -144.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 0.01 112.405 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . 0.56 ' CB ' ' O ' ' C' ' 587' ' ' GLY . 16.2 t80 111.88 145.89 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.399 1.079 . . . . 0.01 110.555 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' C' ' 590' ' ' PRO . 2.4 t 72.15 109.92 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.794 -0.639 . . . . 0.01 111.476 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' C' ' 589' ' ' VAL . 76.1 Cg_exo -51.55 -162.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.508 2.139 . . . . 0.01 113.099 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -85.67 -81.68 0.2 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.111 -0.495 . . . . 0.01 112.174 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.97 -27.76 2.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.006 0.431 . . . . 0.01 111.907 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.38 -34.27 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.717 -0.674 . . . . 0.01 110.255 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -81.21 -44.68 17.44 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.053 0.39 . . . . 0.01 112.053 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -58.19 -45.76 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.525 . . . . 0.01 110.97 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.54 -57.9 5.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.52 0.563 . . . . 0.01 112.52 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.52 -30.4 5.2 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.123 0.416 . . . . 0.01 112.123 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.09 -35.39 80.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.01 110.739 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.92 -44.01 94.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.01 110.384 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.28 67.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.216 0.45 . . . . 0.01 112.216 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.41 -42.64 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.316 0.488 . . . . 0.01 112.316 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -65.33 -36.91 85.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.782 0.325 . . . . 0.01 110.298 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.74 -57.58 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 0.01 111.298 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . 0.42 ' CG2' ' N ' ' A' ' 14' ' ' GLN . 9.1 p -60.56 -27.42 40.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 112.103 0.409 . . . . 0.01 112.103 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -47.01 29.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.397 -0.365 . . . . 0.01 110.677 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.883 -0.414 . . . . 0.01 109.883 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -59.17 2.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.355 0.502 . . . . 0.01 112.355 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.71 6.58 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.885 0.698 . . . . 0.01 112.885 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 10.7 ptp -64.77 -30.95 71.97 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.781 -0.368 . . . . 0.01 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -39.12 77.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.638 -0.504 . . . . 0.01 109.638 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.48 -26.05 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 0.01 110.431 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -40.95 12.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.586 -0.733 . . . . 0.01 111.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -65.4 -13.36 58.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.443 -0.344 . . . . 0.01 110.941 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -166.09 62.29 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.938 0.399 . . . . 0.01 111.065 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.246 -0.883 . . . . 0.01 111.17 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.462 -0.255 . . . . 0.01 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -61.21 128.98 39.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.01 111.089 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.87 83.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.01 110.709 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 177.2 81.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.01 112.418 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 24.1 m -142.93 162.89 34.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.795 0.331 . . . . 0.01 110.732 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -155.98 -50.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.344 -0.389 . . . . 0.01 111.064 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 34.4 t -172.75 81.26 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.01 111.364 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -159.12 115.83 2.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.089 0.471 . . . . 0.01 110.864 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 mm -142.97 160.69 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 115.789 -0.641 . . . . 0.01 110.476 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -160.51 99.86 1.3 Allowed 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 121.148 -0.221 . . . . 0.01 111.515 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.5 mm -38.15 98.46 0.16 Allowed Pre-proline 0 N--CA 1.468 0.437 0 CA-C-N 116.52 -0.309 . . . . 0.01 111.275 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.76 109.55 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.368 2.045 . . . . 0.01 112.508 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.71 153.88 1.18 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.36 2.04 . . . . 0.01 112.617 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.38 -22.49 12.79 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.922 -0.656 . . . . 0.01 113.131 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.26 -35.07 73.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.907 0.384 . . . . 0.01 110.646 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -50.19 65.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.01 110.826 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.64 -33.75 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.01 111.646 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -47.86 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.723 0.297 . . . . 0.01 111.663 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.01 110.174 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -44.51 94.76 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.01 110.256 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.97 -45.05 72.31 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.01 111.383 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -71.88 -49.77 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.051 0.453 . . . . 0.01 110.273 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -55.38 -59.49 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 0.01 112.331 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -55.55 -29.81 25.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.216 -0.447 . . . . 0.01 111.575 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -79.07 -49.23 12.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.01 111.427 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.2 t -49.22 -41.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.01 111.229 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.81 -42.63 60.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.01 110.926 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -68.67 -23.31 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 0.01 112.322 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -111.41 -38.09 5.07 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.952 0.353 . . . . 0.01 111.952 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 55.91 82.92 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.632 0.253 . . . . 0.01 110.359 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -89.94 170.6 4.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.121 2.547 . . . . 0.01 112.792 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.98 -33.51 6.04 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.413 2.076 . . . . 0.01 111.962 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -132.81 139.52 47.54 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 116.219 -0.446 . . . . 0.01 111.073 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.17 -47.47 43.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.01 110.723 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -55.56 -54.24 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.01 110.856 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.42 -50.14 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.01 110.75 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.01 111.73 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.4 -43.62 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.945 0.35 . . . . 0.01 111.945 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.61 -59.64 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.01 109.069 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -31.95 16.62 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.902 -0.319 . . . . 0.01 111.078 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.55 -54.39 6.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.474 -0.33 . . . . 0.01 111.793 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 9.9 m-85 -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.575 0.226 . . . . 0.01 111.426 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -70.68 -51.43 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.139 -0.224 . . . . 0.01 111.057 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 42' ' ' ALA . 7.3 ptt180 -66.63 -29.46 69.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.01 110.924 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.08 -56.04 24.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.01 110.518 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -51.41 57.19 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.092 0.472 . . . . 0.01 110.516 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.34 -28.31 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.609 -0.723 . . . . 0.01 111.978 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 38' ' ' ARG . . . -57.79 -45.39 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.641 0.257 . . . . 0.01 111.192 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -113.21 30.32 7.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.258 -0.428 . . . . 0.01 111.155 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.211 -0.899 . . . . 0.01 111.18 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.496 -0.242 . . . . 0.01 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -169.65 -46.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.01 111.166 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 17.4 ptp -171.69 -41.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.01 110.94 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 105.51 -127.04 8.84 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.225 -0.512 . . . . 0.01 112.569 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 59.0 p -160.54 29.16 0.16 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.645 0.222 . . . . 0.01 111.2 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 7.1 ptp 28.48 96.99 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.52 0.563 . . . . 0.01 112.52 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 29.7 t -171.27 -152.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.055 -0.521 . . . . 0.01 110.66 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.456 ' CD2' ' NE2' ' C' ' 613' ' ' GLN . 2.4 t-160 -166.68 -167.72 1.03 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.729 -0.471 . . . . 0.01 109.729 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.405 ' H ' ' CD2' ' B' ' 2' ' ' HIS . 0.6 OUTLIER -169.24 178.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.611 -0.435 . . . . 0.01 111.736 -178.594 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.46 129.97 9.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.022 -0.535 . . . . 0.01 110.369 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.6 115.58 45.15 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.14 -0.482 . . . . 0.01 111.371 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.62 161.46 1.28 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.04 1.826 . . . . 0.01 112.216 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -84.56 142.2 9.19 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.52 2.147 . . . . 0.01 112.545 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.76 -28.57 11.99 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.992 -0.623 . . . . 0.01 112.616 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.37 -44.18 72.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.527 0.203 . . . . 0.01 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.6 m -51.21 -41.4 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.01 111.212 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.89 -48.84 64.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.01 111.93 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.76 -55.85 14.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.691 -0.231 . . . . 0.01 111.461 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.47 -38.3 83.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.01 110.153 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.444 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 2.8 tt0 -62.2 -40.12 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.01 110.834 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.37 -31.41 62.77 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.911 -0.661 . . . . 0.01 112.815 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -79.67 -50.33 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.01 111.185 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 0.01 111.694 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -46.0 -41.66 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 112.721 0.637 . . . . 0.01 112.721 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.408 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 13.4 pt-20 -79.37 -31.81 43.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.836 0.35 . . . . 0.01 110.907 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' B' ' 24' ' ' GLN . 67.8 t -63.61 -56.77 14.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.01 110.263 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -43.33 64.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.01 111.065 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -70.75 -23.89 62.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.951 0.723 . . . . 0.01 112.951 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -106.21 -49.3 3.39 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.957 0.355 . . . . 0.01 111.957 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' B' ' 20' ' ' VAL . 39.8 mm-40 65.91 82.59 0.2 Allowed Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.109 -0.496 . . . . 0.01 110.436 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.27 168.8 11.57 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.63 2.22 . . . . 0.01 112.616 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.49 -32.71 7.61 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.421 2.081 . . . . 0.01 112.14 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.53 136.36 46.58 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.993 0.425 . . . . 0.01 110.948 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.2 mt -84.14 -27.88 27.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 0.01 111.213 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.72 -41.59 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.5 -0.318 . . . . 0.01 111.049 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.81 -56.12 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.01 111.311 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.48 -25.24 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.01 111.709 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.438 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.03 -38.11 45.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.921 0.341 . . . . 0.01 111.921 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' B' ' 37' ' ' THR . 0.3 OUTLIER -61.57 -40.35 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.01 110.81 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.86 -46.75 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.01 111.298 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.408 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 83.5 t80 -57.18 -52.05 66.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.01 111.232 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -68.79 -49.68 56.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.46 0.17 . . . . 0.01 111.46 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' B' ' 33' ' ' VAL . 66.7 p -57.05 -40.57 77.04 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.857 0.36 . . . . 0.01 110.606 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -54.94 -46.25 74.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.01 110.313 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.3 mt -72.29 -31.32 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.01 110.262 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -70.76 -38.75 73.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.01 111.376 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.29 -5.14 48.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.251 -0.431 . . . . 0.01 111.514 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.65 76.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.526 -0.306 . . . . 0.01 111.231 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.7 26.58 3.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.31 -0.404 . . . . 0.01 111.327 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.299 -0.858 . . . . 0.01 111.047 179.768 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.802 0.334 . . . . 0.01 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 8.2 tpp -160.87 152.22 19.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.01 110.762 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.83 62.86 7.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.286 -0.415 . . . . 0.01 111.135 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -161.33 127.67 3.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.01 110.811 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 23.0 mt -142.11 -44.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.257 -0.429 . . . . 0.01 110.958 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 110.35 25.39 5.28 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 116.163 -0.471 . . . . 0.01 112.359 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 48.5 p -172.72 -46.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.749 0.309 . . . . 0.01 110.697 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 67.45 -64.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 0.01 111.329 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 25.4 p -174.6 112.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.445 -0.343 . . . . 0.01 110.737 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 172.48 54.7 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.01 112.577 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -93.38 21.88 5.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.973 0.416 . . . . 0.01 111.231 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 26.8 m -97.36 121.82 57.47 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.963 -0.562 . . . . 0.01 110.865 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.34 57.59 1.29 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.961 1.774 . . . . 0.01 113.237 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 55.14 -80.69 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.429 0.9 . . . . 0.01 113.429 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.3 -26.72 1.32 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.701 0.63 . . . . 0.01 112.701 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.18 -28.23 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.51 -0.314 . . . . 0.01 110.802 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . 0.444 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 46.4 t-105 -80.03 -45.71 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 0.01 111.119 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -56.9 -45.1 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.776 -0.453 . . . . 0.01 109.776 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.38 -55.84 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.01 111.965 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -37.86 19.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 120.938 0.399 . . . . 0.01 111.2 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.27 -30.72 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.01 110.375 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -66.69 -45.2 79.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.01 110.297 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -55.83 -30.76 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.477 -0.329 . . . . 0.01 111.519 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 30.5 t -83.28 -45.16 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.266 0.469 . . . . 0.01 112.266 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.06 -38.42 88.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.879 0.371 . . . . 0.01 110.173 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.27 -57.19 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.01 110.765 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 7.1 p -59.88 -26.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.967 0.413 . . . . 0.01 112.062 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -48.28 24.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.15 -0.477 . . . . 0.01 111.017 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.43 76.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.01 111.394 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . 0.516 ' O ' ' OG1' ' C' ' 610' ' ' THR . 4.1 pt20 -79.25 -48.18 14.62 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.637 0.606 . . . . 0.01 112.637 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.88 -37.17 5.98 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.804 -0.56 . . . . 0.01 111.659 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 17.7 ptp -72.05 -32.28 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.01 111.507 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 610' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.6 OUTLIER -65.61 -34.28 77.86 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.403 -0.962 . . . . 0.01 108.403 177.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -23.17 66.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.164 -0.68 . . . . 0.01 109.164 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 7.0 mt -89.08 -43.76 10.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.268 -0.878 . . . . 0.01 110.394 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . 0.456 ' NE2' ' CD2' ' B' ' 2' ' ' HIS . 1.4 mm-40 -61.46 -20.34 63.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.01 110.995 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.89 65.41 0.2 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.862 0.363 . . . . 0.01 111.129 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.196 -0.907 . . . . 0.01 111.101 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.472 -0.251 . . . . 0.01 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.28 35.2 24.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.76 0.314 . . . . 0.01 111.094 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 7.9 tpt 69.48 37.12 2.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.101 -0.5 . . . . 0.01 110.39 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -73.22 62.93 1.75 Allowed Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.744 -0.662 . . . . 0.01 112.589 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 13.7 t 57.56 94.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.661 0.267 . . . . 0.01 111.053 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 45.9 ttp 62.13 128.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.206 -0.452 . . . . 0.01 111.319 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 74.4 m -88.69 67.42 8.38 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.299 -0.409 . . . . 0.01 110.534 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -145.44 119.43 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.01 109.804 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 mt -139.11 104.32 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.352 -0.84 . . . . 0.01 110.267 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -120.78 122.9 41.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.444 -0.344 . . . . 0.01 111.201 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.0 mm -45.78 102.59 0.31 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.847 -0.161 . . . . 0.01 110.608 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.73 164.16 1.63 Allowed 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.941 1.761 . . . . 0.01 112.481 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -92.5 157.28 2.99 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.828 2.352 . . . . 0.01 111.948 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -19.26 17.38 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.81 -0.71 . . . . 0.01 112.932 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.48 -47.51 72.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.845 0.355 . . . . 0.01 111.102 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -50.79 72.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.01 111.526 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -36.9 77.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.01 111.309 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tp -74.36 -44.97 49.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.01 111.46 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.39 -40.3 67.33 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.975 -0.557 . . . . 0.01 110.997 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -38.84 83.58 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.721 0.296 . . . . 0.01 110.507 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.87 -45.62 91.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.52 -0.848 . . . . 0.01 111.054 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -69.63 -48.51 59.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.433 . . . . 0.01 110.13 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.9 m -55.81 -60.42 3.49 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.88 -0.6 . . . . 0.01 112.228 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.74 -26.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.01 111.695 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.6 -24.61 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.868 0.366 . . . . 0.01 110.742 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.86 -38.61 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.404 0.52 . . . . 0.01 112.404 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.25 -35.72 71.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.697 0.284 . . . . 0.01 111.311 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -75.31 -29.99 60.2 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.488 0.551 . . . . 0.01 112.488 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -106.99 -52.91 2.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.982 0.42 . . . . 0.01 110.898 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 58.3 57.71 6.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 113.137 0.791 . . . . 0.01 113.137 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.96 170.16 20.74 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.339 2.026 . . . . 0.01 111.152 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.67 -7.95 22.19 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 122.383 2.055 . . . . 0.01 115.567 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -133.21 118.9 19.17 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.34 0.973 . . . . 0.01 112.003 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 mt -81.97 -39.29 23.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.01 109.456 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -37.31 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.01 109.314 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -70.97 -48.24 54.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.966 -0.753 . . . . 0.01 108.966 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.34 -54.68 10.47 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.336 0.589 . . . . 0.01 110.836 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.432 ' CB ' ' CD1' ' B' ' 36' ' ' PHE . . . -46.74 -46.61 20.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.179 0.807 . . . . 0.01 113.179 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.15 -60.15 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.795 -0.362 . . . . 0.01 110.558 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.29 -32.02 23.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.394 -0.523 . . . . 0.01 111.13 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -78.78 -57.9 3.52 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.086 0.402 . . . . 0.01 112.086 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -63.59 -28.22 69.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.817 0.303 . . . . 0.01 111.817 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -71.6 -55.21 8.21 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.792 0.33 . . . . 0.01 110.807 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -54.51 -52.01 63.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.01 111.141 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tt -48.48 -56.39 8.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.217 -0.447 . . . . 0.01 111.068 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -60.52 -50.6 72.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 0.01 110.831 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -51.01 -29.43 12.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.01 110.997 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.89 -47.03 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.01 110.776 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -98.32 -178.26 3.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.968 -0.56 . . . . 0.01 110.688 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.321 -0.847 . . . . 0.01 111.375 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.453 -0.259 . . . . 0.01 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -59.67 -179.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.01 111.16 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 7.8 ttm -167.72 109.71 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.01 110.839 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 177.85 -150.67 10.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.758 . . . . 0.01 112.438 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 4.0 m 60.29 -174.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.697 0.284 . . . . 0.01 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 22.6 mmt 58.86 154.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.01 111.271 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' B' ' 2' ' ' HIS . 11.0 m -165.93 178.65 6.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.941 -0.572 . . . . 0.01 110.879 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.431 ' CD2' ' OE1' ' B' ' 4' ' ' GLN . 7.2 t60 163.03 -46.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.807 -0.633 . . . . 0.01 110.644 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 mt 74.72 93.54 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 115.238 -0.892 . . . . 0.01 112.467 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.431 ' OE1' ' CD2' ' B' ' 2' ' ' HIS . 10.1 pt20 -169.5 119.85 0.68 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.185 0.517 . . . . 0.01 110.881 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.4 mm -51.51 108.08 0.98 Allowed Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.675 -0.693 . . . . 0.01 111.368 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -55.84 114.93 2.12 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.774 1.649 . . . . 0.01 111.94 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -44.48 122.01 3.61 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.275 1.984 . . . . 0.01 112.962 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.35 -31.08 8.88 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 121.158 -0.544 . . . . 0.01 113.116 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.96 -42.99 69.53 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.721 -0.282 . . . . 0.01 110.806 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.4 m -52.86 -41.78 64.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.398 . . . . 0.01 111.04 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.74 -41.46 87.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.067 -0.515 . . . . 0.01 111.126 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.15 -53.25 59.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.64 0.257 . . . . 0.01 110.548 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.72 -43.32 94.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.01 109.888 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.421 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 0.6 OUTLIER -62.57 -45.08 94.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.829 -0.623 . . . . 0.01 110.789 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.23 61.65 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.209 -0.52 . . . . 0.01 113.052 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -79.42 -46.64 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.01 110.802 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.8 m -54.39 -40.91 68.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.01 111.966 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -60.67 -28.01 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.806 0.336 . . . . 0.01 111.578 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.62 -47.43 17.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.369 -0.378 . . . . 0.01 110.256 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' B' ' 24' ' ' GLN . 38.1 t -50.75 -47.74 28.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.125 0.488 . . . . 0.01 110.17 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.02 -40.79 96.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.01 110.976 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -77.01 -28.18 54.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.2 0.815 . . . . 0.01 113.2 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -107.96 -47.11 3.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.945 0.35 . . . . 0.01 111.945 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 20' ' ' VAL . 26.9 mm-40 66.38 66.05 0.76 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 0.01 110.515 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.57 159.92 47.77 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.804 2.336 . . . . 0.01 112.447 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.77 -40.35 55.13 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.142 1.894 . . . . 0.01 111.906 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -132.6 130.92 40.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.148 -0.478 . . . . 0.01 110.724 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.36 -51.17 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.01 110.619 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -48.72 -33.17 4.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 121.052 0.453 . . . . 0.01 110.267 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.47 -55.82 5.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.843 -0.617 . . . . 0.01 110.335 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.38 -25.64 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.01 111.172 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.92 23.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.256 0.465 . . . . 0.01 112.256 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.0 -33.82 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.91 0.386 . . . . 0.01 111.06 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -78.29 -45.39 22.86 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.148 -0.478 . . . . 0.01 111.231 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.13 -48.03 81.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.01 111.362 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.432 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 44.0 m-85 -67.15 -39.03 86.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.528 0.204 . . . . 0.01 111.459 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 32.7 p -65.75 -33.85 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.946 0.403 . . . . 0.01 110.486 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -59.87 -39.93 86.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.975 -0.557 . . . . 0.01 109.866 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.47 -55.94 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.56 . . . . 0.01 110.555 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -53.28 -54.47 35.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.01 110.841 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -59.35 -20.51 55.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.01 111.444 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.62 -27.16 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.827 0.346 . . . . 0.01 111.259 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.34 157.88 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.01 110.931 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.26 -0.876 . . . . 0.01 111.185 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.852 0.358 . . . . 0.01 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 33.4 mtm -76.2 110.17 10.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.01 110.997 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -88.2 116.5 26.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.339 -0.391 . . . . 0.01 111.071 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -158.44 91.4 1.08 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.378 -0.374 . . . . 0.01 110.831 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . 0.469 HG21 HD13 ' C' ' 582' ' ' ILE . 0.1 OUTLIER -137.86 126.47 32.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.292 -0.413 . . . . 0.01 110.844 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -69.23 -124.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 0.01 112.585 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 60.9 p -170.65 137.28 1.31 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.01 110.818 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -72.31 -57.51 4.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.01 111.171 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 11.8 p 59.71 173.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.01 110.892 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . 0.468 ' O ' ' HB3' ' C' ' 588' ' ' TYR . . . -173.41 -62.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.638 -0.791 . . . . 0.01 112.59 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' C' ' 587' ' ' GLY . 56.0 p90 168.9 27.55 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.694 0.398 . . . . 0.01 110.927 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.44 126.35 29.05 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.508 -0.315 . . . . 0.01 111.239 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.79 -169.55 0.57 Allowed 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.945 1.763 . . . . 0.01 112.255 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.61 -71.02 0.31 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.29 0.848 . . . . 0.01 113.29 -178.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -48.55 -32.33 7.86 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.56 0.948 . . . . 0.01 113.56 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.69 -27.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.098 -0.241 . . . . 0.01 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . 0.421 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 56.5 t-105 -79.38 -45.81 18.8 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.723 0.297 . . . . 0.01 111.355 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -57.03 -46.22 82.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.699 -0.482 . . . . 0.01 109.699 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -67.53 -59.87 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.205 0.446 . . . . 0.01 112.205 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.2 -36.08 18.84 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.187 0.44 . . . . 0.01 112.187 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -38.9 89.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.369 -0.378 . . . . 0.01 110.99 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -61.03 -43.5 98.79 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.132 -0.321 . . . . 0.01 110.132 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.71 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.91 0.337 . . . . 0.01 111.91 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' C' ' 605' ' ' LYS . 15.2 t -72.47 -41.7 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.839 0.311 . . . . 0.01 111.839 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.89 -45.21 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.01 110.674 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.96 -54.33 32.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 0.01 111.071 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.65 -27.16 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.608 0.595 . . . . 0.01 112.608 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' C' ' 601' ' ' VAL . 0.0 OUTLIER -75.29 -52.33 11.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.01 109.944 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -24.06 62.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.942 -0.572 . . . . 0.01 109.936 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.47 -50.76 11.07 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.165 0.802 . . . . 0.01 113.165 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.24 -29.3 2.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.331 0.514 . . . . 0.01 112.324 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.56 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 0.01 110.315 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 3.1 m -66.02 -40.26 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.28 -0.637 . . . . 0.01 109.28 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -62.39 -26.03 68.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.52 -0.764 . . . . 0.01 110.308 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.05 -26.21 21.53 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.512 -0.767 . . . . 0.01 110.78 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.34 12.8 3.32 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.306 -0.406 . . . . 0.01 111.552 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -144.74 31.12 1.17 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.937 0.399 . . . . 0.01 110.718 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.174 -0.917 . . . . 0.01 111.104 179.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.488 -0.245 . . . . 0.01 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.34 38.16 25.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.328 . . . . 0.01 111.188 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.0 141.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.422 . . . . 0.01 110.807 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -96.55 -49.74 1.94 Allowed Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.987 -0.625 . . . . 0.01 112.48 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.0 p 70.64 9.86 6.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.651 0.241 . . . . 0.01 111.651 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -177.03 51.86 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.862 0.363 . . . . 0.01 110.912 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 28.1 p -173.6 -43.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.01 110.708 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -131.62 97.57 4.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.969 -0.56 . . . . 0.01 110.073 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.9 mt -136.88 78.14 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.553 -0.749 . . . . 0.01 110.099 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -109.9 129.73 55.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.446 -0.797 . . . . 0.01 111.508 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 24.8 mm -46.84 103.71 0.37 Allowed Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 121.081 -0.248 . . . . 0.01 110.413 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -53.9 117.34 3.76 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.242 1.961 . . . . 0.01 112.647 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -47.34 146.22 7.33 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.746 1.631 . . . . 0.01 111.814 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.67 -24.3 10.8 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.59 -0.814 . . . . 0.01 113.223 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.22 -53.83 44.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 117.051 0.426 . . . . 0.01 111.049 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -40.16 65.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.01 110.98 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.14 -34.83 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.01 111.603 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.82 -44.51 69.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.828 0.347 . . . . 0.01 111.237 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.49 -27.28 64.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.01 110.729 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -65.72 -43.88 87.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.224 -0.444 . . . . 0.01 111.377 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.13 70.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.559 -0.829 . . . . 0.01 111.806 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -68.31 -46.15 71.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.01 110.431 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -56.74 -59.8 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.785 0.661 . . . . 0.01 112.785 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -54.86 -34.47 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.898 0.38 . . . . 0.01 111.53 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.98 -31.76 68.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.01 110.997 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.52 -38.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.01 110.761 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.4 mt -73.48 -30.23 63.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.435 . . . . 0.01 110.972 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -85.28 -25.73 27.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.491 0.552 . . . . 0.01 112.491 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -112.03 -43.66 3.55 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.842 0.312 . . . . 0.01 111.842 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 63.83 75.01 0.4 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.698 0.285 . . . . 0.01 110.486 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.37 166.66 27.15 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.554 2.169 . . . . 0.01 112.379 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.95 -35.04 12.79 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.415 2.077 . . . . 0.01 112.421 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -132.82 145.37 50.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.01 111.149 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.7 -48.01 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.606 -0.724 . . . . 0.01 110.32 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 p -58.4 -44.98 89.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 0.01 111.0 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -63.99 -47.94 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.992 0.425 . . . . 0.01 110.592 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.59 -29.5 70.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.01 111.749 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.07 85.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 0.01 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.98 -59.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.332 -0.988 . . . . 0.01 108.332 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.67 -34.2 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.852 0.358 . . . . 0.01 110.745 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -78.19 -53.62 7.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.015 -0.539 . . . . 0.01 111.709 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -67.12 -48.98 66.44 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.757 0.28 . . . . 0.01 111.757 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 p -52.83 -54.73 30.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.89 0.376 . . . . 0.01 110.813 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -34.28 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.01 110.691 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.56 -56.17 25.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.01 110.358 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -59.27 -44.99 92.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.027 0.441 . . . . 0.01 111.005 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -66.49 -28.02 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.01 111.44 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.39 87.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.01 111.143 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.99 143.02 26.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.133 -0.485 . . . . 0.01 110.832 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.88 . . . . 0.01 111.13 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.531 -0.227 . . . . 0.01 112.531 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -94.29 21.57 6.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.553 0.216 . . . . 0.01 111.398 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 7.1 ptp -107.63 -28.39 9.77 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.443 -0.344 . . . . 0.01 110.774 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -169.29 155.05 24.98 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.732 -0.747 . . . . 0.01 112.406 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 80.2 p -68.16 -81.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.01 110.964 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -101.56 -72.22 0.69 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.413 -0.358 . . . . 0.01 110.618 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 79.1 p -170.3 -71.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.01 111.188 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -178.34 132.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.717 -0.845 . . . . 0.01 108.717 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mt 68.03 85.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.01 110.067 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.44 119.86 0.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.902 -0.59 . . . . 0.01 110.237 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.9 mp -50.5 107.87 0.9 Allowed Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.324 -0.398 . . . . 0.01 110.649 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.78 175.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.159 1.906 . . . . 0.01 112.468 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.3 109.02 1.37 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.881 2.387 . . . . 0.01 112.309 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.83 -36.91 3.29 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.183 -0.532 . . . . 0.01 112.964 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -46.61 -49.06 19.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.01 111.113 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -49.92 -38.76 37.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.01 110.116 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.21 -36.89 85.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.795 -0.638 . . . . 0.01 111.333 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.79 -55.24 15.8 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.624 -0.262 . . . . 0.01 110.683 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.17 -34.39 73.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.354 0.597 . . . . 0.01 109.577 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.9 -45.73 56.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.156 -0.929 . . . . 0.01 111.204 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.18 -28.49 54.42 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.01 112.503 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -79.86 -45.83 17.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.366 . . . . 0.01 111.273 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.2 p -54.31 -55.45 28.19 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.326 0.491 . . . . 0.01 112.326 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -46.06 -34.8 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.01 111.889 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -79.48 -48.56 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.01 110.439 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.23 -53.77 26.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.987 -0.551 . . . . 0.01 111.28 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -56.11 -42.99 77.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.888 -0.596 . . . . 0.01 112.123 -178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.491 ' NH1' ' CZ ' ' C' ' 588' ' ' TYR . 2.4 tmm_? -85.45 -22.98 28.04 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.695 0.628 . . . . 0.01 112.695 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -95.08 -38.69 10.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 0.01 111.059 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 55.61 80.32 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.01 110.704 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -85.03 163.92 11.59 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.739 2.293 . . . . 0.01 112.713 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.43 -37.65 4.12 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.335 2.023 . . . . 0.01 111.849 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -132.6 136.61 46.64 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.242 -0.436 . . . . 0.01 110.853 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 mt -75.74 -42.49 50.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.01 111.111 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.11 -40.86 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.01 111.378 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -75.69 -40.43 55.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.907 0.384 . . . . 0.01 111.009 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -71.64 -29.02 64.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.344 . . . . 0.01 110.921 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.86 -52.6 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.408 -0.36 . . . . 0.01 111.665 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.66 ' O ' ' OG1' ' B' ' 37' ' ' THR . 6.1 p -51.73 -50.28 32.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.01 111.288 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -59.63 -39.42 84.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 0.01 111.239 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -62.48 -48.53 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.01 110.922 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -75.79 -46.82 28.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.601 0.223 . . . . 0.01 111.601 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.66 ' OG1' ' O ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER -62.16 -26.37 68.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.01 111.194 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -39.31 37.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.202 0.525 . . . . 0.01 109.872 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.89 -49.07 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.585 -0.734 . . . . 0.01 111.344 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -47.82 -41.09 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.376 . . . . 0.01 111.744 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.01 -7.52 49.26 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.788 0.292 . . . . 0.01 111.788 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.74 74.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.708 0.289 . . . . 0.01 111.516 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -61.14 171.18 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.01 111.155 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' B' ' 43' ' ' ARG . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.244 -0.884 . . . . 0.01 110.668 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.708 0.29 . . . . 0.01 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -165.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.36 -0.382 . . . . 0.01 110.633 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -97.28 39.11 1.2 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.292 -0.413 . . . . 0.01 110.881 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' C' ' 582' ' ' ILE . 22.6 t70 -156.58 139.03 14.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.01 110.711 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . 0.481 ' O ' ' O ' ' C' ' 581' ' ' ASP . 4.9 tp 29.38 105.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 121.531 0.681 . . . . 0.01 112.704 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -76.57 -123.38 0.19 Allowed Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.427 -0.806 . . . . 0.01 112.592 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 50.6 m -156.48 73.96 0.81 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.89 0.376 . . . . 0.01 110.671 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -60.48 84.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.01 111.293 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 74.3 m -167.61 89.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.01 110.798 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -85.54 -169.68 46.23 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.848 -0.691 . . . . 0.01 112.023 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . 0.657 ' O ' ' CG ' ' C' ' 588' ' ' TYR . 3.6 t80 166.18 34.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.441 0.639 . . . . 0.01 110.271 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' C' ' 589' ' ' VAL . 24.2 m -101.43 99.11 10.47 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.163 -0.471 . . . . 0.01 111.614 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.36 -170.12 0.1 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 121.136 1.224 . . . . 0.01 111.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.73 -88.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.487 0.921 . . . . 0.01 113.487 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.4 -28.69 3.39 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.859 1.059 . . . . 0.01 113.859 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 35.2 mm -74.68 -28.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.466 0.174 . . . . 0.01 111.459 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -79.96 -47.26 15.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.223 0.453 . . . . 0.01 112.223 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -55.51 -43.07 75.34 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.906 -0.317 . . . . 0.01 110.407 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.17 -59.58 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.177 0.806 . . . . 0.01 113.177 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.31 -42.92 42.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.521 0.934 . . . . 0.01 113.521 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -30.77 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.166 -0.214 . . . . 0.01 111.009 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -40.62 90.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.923 -0.399 . . . . 0.01 109.923 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -56.77 -31.97 65.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.553 -0.294 . . . . 0.01 111.693 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 15.8 t -82.98 -42.88 18.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 112.354 0.501 . . . . 0.01 112.354 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.01 109.979 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -75.64 -56.23 4.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.918 -0.583 . . . . 0.01 111.415 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.63 -27.81 43.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 112.968 0.729 . . . . 0.01 112.968 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -44.1 43.35 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.797 -0.361 . . . . 0.01 110.248 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -63.19 -26.5 68.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.589 -0.523 . . . . 0.01 109.589 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -55.62 5.09 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.322 0.49 . . . . 0.01 112.322 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.99 -32.81 2.97 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.544 0.572 . . . . 0.01 112.544 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -64.16 -31.48 72.69 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.644 -0.422 . . . . 0.01 110.353 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 94.0 m -66.84 -37.63 84.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.558 -0.534 . . . . 0.01 109.558 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -58.92 -25.68 63.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.01 110.271 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.37 -56.28 3.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.427 -0.806 . . . . 0.01 111.173 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -56.9 -21.16 27.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.01 111.712 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -163.2 68.2 0.2 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.907 0.384 . . . . 0.01 111.113 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.201 -0.904 . . . . 0.01 111.058 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 112.53 -0.228 . . . . 0.01 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 60.11 156.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.01 111.109 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.82 -80.0 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.01 110.596 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 161.22 159.29 9.91 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.738 -0.744 . . . . 0.01 112.65 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 14.9 t -170.72 71.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.01 110.859 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 12.9 ptp -169.21 -175.77 2.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 0.01 110.857 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.5 m -68.15 67.89 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.945 0.402 . . . . 0.01 111.03 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.415 ' CD2' ' OE1' ' A' ' 4' ' ' GLN . 3.1 t-160 -149.57 119.14 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.01 109.827 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mt -145.18 146.88 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.688 -0.687 . . . . 0.01 110.725 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.415 ' OE1' ' CD2' ' A' ' 2' ' ' HIS . 0.9 OUTLIER -160.48 129.17 4.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.764 -0.198 . . . . 0.01 111.524 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.72 108.58 0.92 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.896 -0.409 . . . . 0.01 109.896 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.58 110.31 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.549 2.166 . . . . 0.01 112.83 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.33 151.99 2.54 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.131 1.888 . . . . 0.01 111.847 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -21.94 4.0 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.605 -0.807 . . . . 0.01 113.024 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.09 -43.62 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.988 0.394 . . . . 0.01 111.343 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.91 -41.99 64.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.393 -0.367 . . . . 0.01 111.06 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.63 -34.6 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.01 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.37 -45.18 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.01 111.147 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -70.15 -32.7 70.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.978 -0.555 . . . . 0.01 110.603 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -58.24 -45.12 88.33 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 116.233 -0.439 . . . . 0.01 111.159 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -44.72 68.08 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.682 -0.771 . . . . 0.01 112.138 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -72.49 -47.07 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.923 0.392 . . . . 0.01 111.011 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -57.33 -59.87 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.646 0.61 . . . . 0.01 112.646 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -49.84 -26.12 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 111.658 0.244 . . . . 0.01 111.658 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.2 -34.81 59.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.521 0.193 . . . . 0.01 111.521 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -36.65 78.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.01 111.443 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.79 -40.91 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.01 110.188 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -82.17 -23.03 35.76 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.679 0.622 . . . . 0.01 112.679 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -52.23 2.79 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.04 0.385 . . . . 0.01 112.04 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 66.56 87.63 0.12 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.01 110.235 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -93.53 164.5 2.34 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.393 2.729 . . . . 0.01 112.954 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -82.1 -26.32 2.94 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.572 2.182 . . . . 0.01 112.562 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.39 137.68 47.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.021 0.439 . . . . 0.01 110.853 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.19 -51.3 10.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.769 -0.651 . . . . 0.01 111.265 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 p -56.83 -41.79 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.01 111.595 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -68.79 -49.38 59.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 0.01 110.752 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -63.05 -25.21 68.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.01 111.748 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.07 -44.4 26.41 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.381 0.512 . . . . 0.01 112.381 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -72.14 -34.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.792 -0.447 . . . . 0.01 109.792 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.87 -34.34 77.57 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.362 -0.535 . . . . 0.01 110.136 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -78.88 -46.85 17.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 0.01 111.73 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.67 -48.93 67.79 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.691 0.256 . . . . 0.01 111.691 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.8 p -53.0 -55.12 26.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.01 110.943 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -46.69 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.01 111.36 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tt -48.48 -56.25 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.701 0.286 . . . . 0.01 111.126 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -62.5 -49.38 75.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.01 111.151 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.05 -25.76 68.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.01 111.833 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.18 78.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.01 111.349 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -61.46 108.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.01 110.985 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.192 -0.909 . . . . 0.01 111.392 179.563 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.46 -0.256 . . . . 0.01 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.26 177.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 0.01 111.144 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.81 94.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.01 110.566 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -80.02 140.83 22.72 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.893 -0.67 . . . . 0.01 112.533 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 66.4 m -67.95 147.87 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.01 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' MET . . . . . 0.433 ' O ' ' CD2' ' B' ' 2' ' ' HIS . 9.5 ptm -168.7 159.44 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.01 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 4.6 m 71.92 3.63 4.74 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.093 -0.503 . . . . 0.01 111.56 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' B' ' -2' ' ' MET . 0.3 OUTLIER -160.03 -167.59 1.99 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.036 -0.728 . . . . 0.01 109.036 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 mm 72.95 66.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.01 110.723 -178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -162.34 122.36 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.729 -0.669 . . . . 0.01 110.25 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 8.4 mm -67.89 114.85 22.7 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.103 -0.499 . . . . 0.01 111.078 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.14 112.73 0.78 Allowed 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.013 1.808 . . . . 0.01 112.14 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.8 98.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.427 2.085 . . . . 0.01 113.029 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.66 -29.54 2.12 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.033 -0.53 . . . . 0.01 112.385 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.64 -40.12 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.444 0.164 . . . . 0.01 111.066 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.2 m -52.13 -44.01 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.01 110.599 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.23 -39.78 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.01 111.548 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.47 -57.59 12.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.548 -0.296 . . . . 0.01 110.931 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.32 -34.55 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.038 0.447 . . . . 0.01 110.017 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -70.65 -33.34 70.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.722 -0.672 . . . . 0.01 110.245 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.03 -32.44 76.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.044 -0.598 . . . . 0.01 112.307 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -80.25 -45.76 17.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.01 110.794 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.509 ' O ' HG21 ' B' ' 20' ' ' VAL . 2.1 m -59.16 -32.37 69.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.549 0.574 . . . . 0.01 112.549 -178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 m -59.6 -25.95 33.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.173 -0.611 . . . . 0.01 110.854 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -77.99 -53.82 6.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.01 110.948 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.509 HG21 ' O ' ' B' ' 17' ' ' THR . 30.0 m -55.95 -40.43 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 121.044 0.45 . . . . 0.01 110.405 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -59.02 -40.88 86.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.01 110.351 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -72.18 -44.27 63.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.433 0.901 . . . . 0.01 113.433 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -105.22 -46.02 4.35 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.386 0.513 . . . . 0.01 112.386 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 20' ' ' VAL . 5.6 mm-40 73.46 73.47 0.23 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.01 110.094 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.73 170.57 9.77 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.545 2.163 . . . . 0.01 112.839 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.05 -30.01 7.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.684 2.256 . . . . 0.01 112.522 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.4 131.73 42.1 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.116 0.484 . . . . 0.01 111.126 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.28 -48.55 15.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.01 110.756 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p -59.16 -41.03 82.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.01 111.02 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -66.31 -56.33 11.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.94 0.4 . . . . 0.01 111.035 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.92 -25.08 56.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.01 111.989 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.78 34.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.795 0.665 . . . . 0.01 112.795 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -59.44 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.01 110.932 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -52.93 -40.33 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.01 111.624 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -63.01 -49.59 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.01 111.141 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.53 -25.37 65.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.217 -0.193 . . . . 0.01 111.5 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 71.8 p -77.08 -40.75 44.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.055 0.455 . . . . 0.01 110.207 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -57.17 -43.41 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.01 109.993 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.28 -49.52 73.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.01 110.713 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -64.52 -41.97 96.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.453 -0.339 . . . . 0.01 110.751 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.58 -18.62 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 0.01 111.321 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.64 -40.26 65.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.01 111.455 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 143.68 34.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.01 111.019 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.323 -0.846 . . . . 0.01 111.214 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' C' ' 580' ' ' ALA . . . . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.643 0.258 . . . . 0.01 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 32.2 mmt 57.6 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 0.01 111.064 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' C' ' 578' ' ' ALA . . . -142.33 56.86 1.45 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.961 0.41 . . . . 0.01 110.718 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.49 138.4 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.01 110.71 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 48.1 mt -82.55 106.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.01 110.999 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.64 -166.81 11.96 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.955 -0.566 . . . . 0.01 112.138 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 47.1 m -169.28 177.19 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.01 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 68.99 12.35 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.585 . . . . 0.01 111.762 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 3.3 m 179.72 94.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.663 0.268 . . . . 0.01 110.792 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 169.94 119.89 0.51 Allowed Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.466 -0.873 . . . . 0.01 112.937 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 1.1 p90 169.04 26.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.706 0.288 . . . . 0.01 111.301 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 25.1 m -112.43 119.65 43.1 Favored Pre-proline 0 N--CA 1.466 0.363 0 CA-C-N 116.369 -0.378 . . . . 0.01 111.09 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.67 -170.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.324 1.349 . . . . 0.01 111.447 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.89 -41.31 44.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.869 0.692 . . . . 0.01 112.869 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.53 -30.63 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.808 0.67 . . . . 0.01 112.808 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.76 -27.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.907 0.336 . . . . 0.01 111.907 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -79.47 -43.8 22.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.881 -0.328 . . . . 0.01 111.124 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -58.6 -45.03 90.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.482 -0.562 . . . . 0.01 109.482 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -63.85 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.471 0.545 . . . . 0.01 112.471 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -33.47 10.22 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.266 0.469 . . . . 0.01 112.266 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -65.27 -34.09 77.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.542 -0.299 . . . . 0.01 110.678 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -45.79 74.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.168 -0.308 . . . . 0.01 110.168 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -53.5 -33.61 55.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.459 -0.337 . . . . 0.01 111.785 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 65.7 t -83.16 -41.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.433 0.531 . . . . 0.01 112.433 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.93 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.905 0.383 . . . . 0.01 110.16 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.91 -55.82 12.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 0.01 111.279 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.98 -26.41 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.092 0.404 . . . . 0.01 112.092 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 2.1 ttmm -71.59 -51.84 21.22 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.01 110.477 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -27.04 67.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.745 -0.661 . . . . 0.01 109.592 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . 0.456 ' O ' ' OG1' ' C' ' 610' ' ' THR . 14.9 mt-30 -79.33 -55.5 5.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.048 -0.524 . . . . 0.01 112.238 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.8 -34.92 9.24 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.819 -0.551 . . . . 0.01 111.986 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 6.1 ptm -65.74 -33.75 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.199 -0.455 . . . . 0.01 110.795 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 610' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -69.5 -39.76 77.4 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.438 -0.578 . . . . 0.01 109.438 178.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.22 -26.61 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.392 0.615 . . . . 0.01 110.025 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -37.5 14.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.078 -0.964 . . . . 0.01 110.722 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.95 -11.83 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.998 -0.546 . . . . 0.01 111.148 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 38.03 1.83 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.812 0.339 . . . . 0.01 110.847 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.246 -0.883 . . . . 0.01 111.056 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.485 -0.246 . . . . 0.01 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.58 105.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.607 0.242 . . . . 0.01 111.11 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.32 32.77 16.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.104 0.478 . . . . 0.01 110.053 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -87.3 -75.23 1.27 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.494 -0.775 . . . . 0.01 112.65 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' -2' ' ' MET . 6.4 m 61.53 29.54 18.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.588 0.233 . . . . 0.01 111.172 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' MET . . . . . 0.412 ' O ' ' O ' ' A' ' -3' ' ' SER . 0.0 OUTLIER 58.82 141.06 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.206 -0.452 . . . . 0.01 111.12 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.4 m -165.02 -169.75 1.75 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.351 -0.386 . . . . 0.01 110.953 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -140.69 78.2 1.64 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.094 -0.503 . . . . 0.01 110.128 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.2 mm -144.48 -59.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.01 111.174 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 61.97 99.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.884 -0.598 . . . . 0.01 112.125 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.3 mm -50.18 105.94 0.58 Allowed Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 116.74 -0.209 . . . . 0.01 110.764 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -52.7 152.15 17.6 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.233 1.955 . . . . 0.01 112.502 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.45 149.83 16.88 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.443 2.095 . . . . 0.01 111.95 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.67 -21.71 7.29 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.695 -0.764 . . . . 0.01 113.37 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -46.48 81.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.01 110.773 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -57.68 -41.56 81.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.01 111.111 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.38 -30.93 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.01 111.517 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.68 62.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.862 0.363 . . . . 0.01 111.295 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.62 -30.15 66.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.114 -0.494 . . . . 0.01 110.759 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -64.39 -42.96 95.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.463 . . . . 0.01 110.858 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.4 -45.49 75.47 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.55 -0.833 . . . . 0.01 111.877 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 50.0 t80 -70.47 -48.53 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.01 111.034 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -52.91 -59.93 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.688 0.625 . . . . 0.01 112.688 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -54.2 -30.85 21.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.022 0.379 . . . . 0.01 112.022 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -78.48 -42.71 28.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.532 0.206 . . . . 0.01 111.262 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.4 t -54.22 -41.62 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.01 110.702 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.27 -37.48 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.914 -0.584 . . . . 0.01 111.235 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -60.24 -34.08 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 0.01 112.045 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -112.49 -27.54 8.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.17 0.433 . . . . 0.01 112.17 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 55.06 82.88 0.23 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.491 0.186 . . . . 0.01 110.578 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.29 169.7 13.97 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.586 2.19 . . . . 0.01 112.59 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.35 -31.64 8.97 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.53 2.153 . . . . 0.01 112.269 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -132.62 141.35 48.62 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.14 0.495 . . . . 0.01 110.944 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mt -86.11 -30.41 22.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.01 111.167 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.51 -41.59 63.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.246 -0.434 . . . . 0.01 111.49 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -70.42 -56.08 7.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.988 0.423 . . . . 0.01 110.733 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.75 -25.44 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.824 -0.625 . . . . 0.01 111.697 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.19 -41.86 69.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.466 -0.334 . . . . 0.01 111.553 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.35 -59.22 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 108.705 -0.85 . . . . 0.01 108.705 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.03 -33.63 11.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.821 0.343 . . . . 0.01 111.309 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -78.51 -48.55 15.08 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.41 0.522 . . . . 0.01 112.41 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.77 -48.48 37.94 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.925 0.342 . . . . 0.01 111.925 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -52.89 -51.53 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.01 111.109 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -54.38 -53.05 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.01 110.838 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -56.02 9.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.01 111.491 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.497 ' HG2' ' CG1' ' B' ' 29' ' ' VAL . 0.4 OUTLIER -68.79 -51.57 39.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.86 0.362 . . . . 0.01 111.093 -179.684 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.87 -19.38 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.01 111.633 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.94 49.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.976 0.417 . . . . 0.01 110.994 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -64.77 118.95 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.979 -0.555 . . . . 0.01 111.03 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.326 -0.845 . . . . 0.01 111.473 179.461 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.515 -0.234 . . . . 0.01 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 60.88 152.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.01 111.183 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -51.83 9.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.01 110.85 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 73.41 42.15 42.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.927 -0.654 . . . . 0.01 112.519 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 15.3 t 58.04 93.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.756 0.312 . . . . 0.01 110.992 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 17.5 ptp -100.64 -29.66 12.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.201 -0.454 . . . . 0.01 111.05 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.23 110.3 20.08 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.31 -0.404 . . . . 0.01 110.702 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.14 26.22 10.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.875 0.369 . . . . 0.01 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -78.32 150.65 5.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.089 -0.505 . . . . 0.01 110.931 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -145.02 144.66 31.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.291 -0.413 . . . . 0.01 110.788 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -74.76 116.56 54.81 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.463 -0.335 . . . . 0.01 111.353 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.05 165.13 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.351 2.034 . . . . 0.01 112.032 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -82.11 103.12 1.28 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.458 2.105 . . . . 0.01 112.491 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.25 2.16 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 116.135 -0.484 . . . . 0.01 112.416 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.26 -46.73 36.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.58 0.229 . . . . 0.01 110.788 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 m -54.53 -46.63 73.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.01 110.414 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.0 -37.63 88.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.816 -0.629 . . . . 0.01 111.463 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.47 -48.46 79.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.79 0.329 . . . . 0.01 110.27 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.12 -28.37 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.317 -0.624 . . . . 0.01 109.317 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.93 -43.24 75.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.624 -0.717 . . . . 0.01 110.964 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.32 -31.42 69.79 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.007 -0.616 . . . . 0.01 113.217 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -79.39 -49.23 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.766 0.317 . . . . 0.01 111.387 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.7 p -52.23 -58.45 6.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.695 0.283 . . . . 0.01 111.661 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.77 -40.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.332 0.864 . . . . 0.01 113.332 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.412 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 15.5 pt-20 -79.05 -33.11 45.0 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.744 0.307 . . . . 0.01 111.041 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' B' ' 24' ' ' GLN . 24.9 t -62.14 -51.96 66.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.059 0.457 . . . . 0.01 110.005 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.12 -50.4 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.01 110.913 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -68.94 -23.47 64.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.568 0.951 . . . . 0.01 113.568 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.23 -45.33 3.95 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.467 0.543 . . . . 0.01 112.467 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 20' ' ' VAL . 53.1 mm-40 63.71 86.51 0.14 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 0.01 110.133 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -86.22 166.48 9.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.74 2.293 . . . . 0.01 112.891 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.41 -38.33 4.74 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.331 2.02 . . . . 0.01 111.471 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -132.54 131.9 42.03 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 115.919 -0.582 . . . . 0.01 110.337 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.69 -23.33 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.01 111.57 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.497 ' CG1' ' HG2' ' A' ' 40' ' ' ARG . 5.2 t -70.36 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.01 111.366 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.09 -44.35 80.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.289 -0.414 . . . . 0.01 111.721 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -55.86 -27.35 51.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.738 0.304 . . . . 0.01 111.204 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.77 -34.69 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.01 111.188 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.35 -56.8 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.01 110.528 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -57.47 -33.73 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.853 -0.612 . . . . 0.01 111.159 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.412 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 78.4 t80 -71.82 -50.23 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.01 111.452 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -71.07 -24.81 62.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.837 0.31 . . . . 0.01 111.837 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -82.3 -34.94 28.43 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.181 0.437 . . . . 0.01 112.181 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.88 71.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.637 -0.425 . . . . 0.01 110.118 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -47.25 20.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.01 110.255 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -53.88 -61.33 2.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.01 111.102 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -50.3 -33.26 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.01 111.307 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.558 ' O ' ' O ' ' B' ' 43' ' ' ARG . . . -70.98 -38.22 72.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.01 110.581 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.558 ' O ' ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER 35.93 -174.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.656 -0.702 . . . . 0.01 112.428 179.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.252 -0.88 . . . . 0.01 111.322 -179.629 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.872 0.368 . . . . 0.01 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 2.9 tpt 62.22 157.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.01 110.561 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -57.35 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.32 -0.4 . . . . 0.01 110.995 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 1.2 t70 70.88 -168.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.415 -0.357 . . . . 0.01 110.592 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 29.8 mt 67.05 -65.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.386 -0.37 . . . . 0.01 111.33 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 173.14 -155.61 22.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.729 -0.748 . . . . 0.01 112.451 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 60.1 p -70.08 -46.32 65.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.01 110.931 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 55.75 71.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.01 111.236 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 18.6 p 50.48 74.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.01 111.323 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 157.31 103.11 0.2 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.792 -0.718 . . . . 0.01 112.795 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -43.93 151.86 0.2 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.473 0.178 . . . . 0.01 111.145 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 62.77 136.15 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.223 -0.444 . . . . 0.01 110.267 -179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' C' ' 591' ' ' GLU . 95.7 Cg_endo -75.7 106.7 2.32 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.308 2.005 . . . . 0.01 113.228 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' C' ' 590' ' ' PRO . 29.4 mm-40 11.34 -77.8 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.599 1.333 . . . . 0.01 114.599 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' C' ' 590' ' ' PRO . 67.1 mt-10 -45.4 -29.47 1.09 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.152 0.797 . . . . 0.01 113.152 -178.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.91 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.604 0.24 . . . . 0.01 110.749 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . 0.533 ' CD2' ' OE2' ' C' ' 598' ' ' GLU . 51.1 t-105 -79.59 -50.53 10.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.01 111.738 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.44 -44.05 75.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.321 -0.4 . . . . 0.01 110.816 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -54.88 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.933 0.716 . . . . 0.01 112.933 -178.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.78 -37.75 19.96 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.008 -0.432 . . . . 0.01 111.5 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -67.22 -34.84 78.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.01 111.126 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.644 -0.502 . . . . 0.01 109.644 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -56.58 -28.58 60.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.01 111.219 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 12.9 t -83.29 -44.86 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.01 111.923 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -64.91 -33.75 76.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.01 110.273 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -55.99 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.01 111.15 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 7.5 p -63.35 -29.32 46.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 112.78 0.659 . . . . 0.01 112.78 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -44.2 41.9 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.87 -0.418 . . . . 0.01 109.87 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -60.55 -26.66 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.24 -0.652 . . . . 0.01 109.24 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . 0.439 ' O ' ' OG1' ' C' ' 610' ' ' THR . 0.0 OUTLIER -79.24 -54.08 6.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.055 -0.52 . . . . 0.01 111.95 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.98 -36.9 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.993 -0.442 . . . . 0.01 112.181 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 14.0 ptp -67.8 -35.53 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.113 -0.494 . . . . 0.01 110.973 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 610' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -66.74 -34.71 78.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.35 -0.981 . . . . 0.01 108.35 177.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.27 -27.82 69.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 0.01 109.717 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 10.0 mt -84.29 -31.59 24.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.742 -1.117 . . . . 0.01 110.249 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.73 -11.07 59.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.01 110.939 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -126.0 31.67 5.41 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.875 0.369 . . . . 0.01 110.815 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.229 -0.891 . . . . 0.01 111.003 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.566 -0.214 . . . . 0.01 112.566 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -168.83 94.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.01 111.092 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 14.4 mmt -142.25 102.98 4.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.097 -0.501 . . . . 0.01 110.62 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -170.19 -49.41 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.675 -0.774 . . . . 0.01 112.542 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.2 p 79.33 -51.61 0.42 Allowed 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 122.344 0.258 . . . . 0.01 111.245 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 28.3 mtm 59.9 102.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.01 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 91.8 p -78.69 90.19 4.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.01 111.044 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 175.9 -58.65 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.152 -0.476 . . . . 0.01 109.964 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mt -140.21 155.01 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.309 -0.859 . . . . 0.01 110.211 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -157.86 112.92 2.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.545 0.202 . . . . 0.01 111.545 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -45.57 106.13 0.53 Allowed Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 120.606 -0.438 . . . . 0.01 109.901 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.17 119.64 5.68 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.355 2.037 . . . . 0.01 112.724 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.98 147.39 3.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.955 1.77 . . . . 0.01 111.802 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.67 24.96 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.639 -0.791 . . . . 0.01 112.804 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -37.71 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.01 110.91 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -65.2 -47.31 77.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.01 111.008 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.57 -29.57 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.01 111.186 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.69 -39.99 66.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.7 0.286 . . . . 0.01 111.123 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.0 mt -75.94 -29.4 58.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.01 110.752 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -47.15 78.16 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.093 -0.503 . . . . 0.01 111.379 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.64 -42.71 67.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.349 -0.929 . . . . 0.01 111.749 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 45.4 t80 -73.45 -48.04 36.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.01 110.897 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.7 m -51.37 -59.74 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.55 . . . . 0.01 111.766 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 p -57.12 -31.78 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 0.01 111.862 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' OE1' ' CZ ' ' A' ' 31' ' ' PHE . 3.7 tt0 -73.82 -45.06 53.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.817 0.341 . . . . 0.01 110.944 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.6 t -53.84 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.01 110.8 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.49 -34.9 60.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.01 111.822 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -68.79 -34.51 75.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.031 0.382 . . . . 0.01 112.031 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -104.14 -29.61 10.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.756 0.28 . . . . 0.01 111.756 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 56.97 82.55 0.24 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.495 -0.32 . . . . 0.01 110.765 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -84.99 162.62 11.74 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.882 2.388 . . . . 0.01 112.553 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.59 -27.32 6.3 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.464 2.109 . . . . 0.01 112.062 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -132.43 137.35 47.26 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.946 0.403 . . . . 0.01 110.809 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -83.25 -37.18 23.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.908 -0.587 . . . . 0.01 110.66 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.4 -42.13 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.01 111.534 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.31 -50.16 23.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.06 0.457 . . . . 0.01 110.776 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' CZ ' ' OE1' ' A' ' 19' ' ' GLU . 43.1 t80 -59.25 -25.05 63.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.08 -0.509 . . . . 0.01 111.376 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -74.94 -44.59 47.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.364 0.505 . . . . 0.01 112.364 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -28.78 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.079 -0.712 . . . . 0.01 109.079 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.18 -33.6 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.01 110.442 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -78.76 -38.9 37.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.955 -0.566 . . . . 0.01 111.78 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.9 -52.63 9.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.349 0.5 . . . . 0.01 112.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.4 p -52.76 -55.07 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.059 -0.256 . . . . 0.01 111.263 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -49.96 -52.04 36.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.83 0.348 . . . . 0.01 110.653 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.36 -55.51 10.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.01 110.347 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -62.98 -57.28 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.01 110.832 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -54.06 -23.07 12.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.953 -0.567 . . . . 0.01 111.523 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.22 -33.37 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.85 0.357 . . . . 0.01 111.303 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.39 158.2 24.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.01 110.604 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.215 -0.898 . . . . 0.01 111.233 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.453 -0.259 . . . . 0.01 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 59.8 43.58 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.692 0.282 . . . . 0.01 111.132 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 3.4 mmt 61.71 52.45 3.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.164 0.507 . . . . 0.01 110.145 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -54.72 117.44 8.02 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.491 -0.777 . . . . 0.01 112.649 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 13.6 t -68.54 76.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.01 111.162 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 84.3 mtp 55.81 167.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.01 111.37 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.3 t -92.84 106.97 18.85 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.071 -0.513 . . . . 0.01 110.703 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 174.5 38.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 0.01 110.019 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.79 150.61 10.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 115.851 -0.613 . . . . 0.01 111.192 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -141.24 134.61 29.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.1 -0.5 . . . . 0.01 110.603 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 43.3 mm -66.11 114.47 16.82 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.156 -0.475 . . . . 0.01 111.325 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.18 -179.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.036 1.824 . . . . 0.01 111.766 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -92.25 116.46 0.38 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.788 2.325 . . . . 0.01 112.732 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.62 6.66 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.205 -0.522 . . . . 0.01 112.966 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -47.71 -50.21 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.512 0.196 . . . . 0.01 111.192 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.9 m -54.41 -46.35 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.01 111.365 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.45 -41.05 96.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.01 112.117 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.42 -57.44 12.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.517 0.199 . . . . 0.01 111.292 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.46 -32.94 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.01 110.001 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.72 -45.17 60.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.71 -0.677 . . . . 0.01 110.888 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.16 -35.72 65.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.95 -0.643 . . . . 0.01 112.784 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 63.0 t80 -79.87 -45.25 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.01 111.097 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 89.0 m -58.14 -37.78 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.01 111.182 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -29.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.703 -0.68 . . . . 0.01 110.84 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.11 -43.37 24.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.01 110.36 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' GLN . 21.5 t -57.8 -41.09 78.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.228 0.537 . . . . 0.01 110.29 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.15 -49.49 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.766 -0.652 . . . . 0.01 111.384 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -67.9 -27.81 66.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.16 0.8 . . . . 0.01 113.16 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -109.57 -51.82 2.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.833 0.308 . . . . 0.01 111.833 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 20' ' ' VAL . 44.9 mt-30 66.05 86.5 0.13 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.01 110.288 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -86.32 173.7 6.46 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.933 2.422 . . . . 0.01 112.549 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.42 -27.58 11.07 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.429 2.086 . . . . 0.01 112.407 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.5 138.59 47.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.151 0.5 . . . . 0.01 110.831 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -83.66 -38.42 21.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.01 110.235 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.38 -39.5 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 0.01 111.654 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -70.88 -56.45 6.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.84 0.352 . . . . 0.01 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -56.77 -25.02 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.01 111.416 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -74.22 -41.67 60.99 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.294 0.479 . . . . 0.01 112.294 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.27 -59.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.922 0.392 . . . . 0.01 110.944 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -50.9 -33.11 22.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.01 111.818 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -68.73 -49.73 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.685 0.254 . . . . 0.01 111.685 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.22 -36.04 69.03 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.984 -0.287 . . . . 0.01 111.439 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 58.7 p -63.71 -43.53 96.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.228 0.537 . . . . 0.01 109.972 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -40.6 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.01 110.249 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.25 -53.47 10.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.01 110.867 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -56.28 -42.36 77.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.01 111.588 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.61 -12.45 58.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.6 -0.273 . . . . 0.01 111.633 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.81 -53.38 53.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.01 111.21 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 167.94 20.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.33 -0.395 . . . . 0.01 111.145 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.206 -0.902 . . . . 0.01 111.554 179.491 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.903 0.383 . . . . 0.01 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 18.8 mtm -73.13 -49.29 29.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.01 110.809 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 61.55 117.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.01 111.039 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -134.13 51.15 2.14 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.334 -0.394 . . . . 0.01 110.949 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 4.1 mp -139.49 -55.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.134 -0.485 . . . . 0.01 110.842 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 59.54 85.6 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.01 112.58 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 86.1 p -171.24 128.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.01 110.886 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -165.96 29.74 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.01 111.331 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 24.6 m -86.58 -45.07 11.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.895 0.378 . . . . 0.01 110.738 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 171.2 153.93 9.35 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.995 -0.621 . . . . 0.01 112.15 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -94.25 19.69 9.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.853 0.359 . . . . 0.01 111.414 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 2.3 m -96.92 119.44 63.53 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.044 -0.526 . . . . 0.01 110.919 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' C' ' 592' ' ' GLU . 59.1 Cg_endo -68.92 56.52 1.04 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.155 1.903 . . . . 0.01 113.508 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 54.64 -78.63 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.132 0.79 . . . . 0.01 113.132 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' C' ' 590' ' ' PRO . 6.6 mp0 -47.58 -26.76 1.56 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.321 0.489 . . . . 0.01 112.321 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.48 -28.64 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 0.01 110.806 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -80.12 -46.57 16.21 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.776 0.322 . . . . 0.01 111.585 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -57.03 -43.78 82.27 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.039 -0.356 . . . . 0.01 110.039 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -66.73 -59.6 3.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.493 0.553 . . . . 0.01 112.493 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.14 -36.34 18.88 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.124 0.416 . . . . 0.01 112.124 -179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.65 -34.39 77.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.01 110.556 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.13 -46.58 73.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.01 110.558 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.76 43.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.073 0.398 . . . . 0.01 112.073 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.5 t -74.42 -37.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.491 0.552 . . . . 0.01 112.491 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.7 -39.46 94.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.01 109.795 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.63 -56.49 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.01 111.171 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -26.87 38.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 112.116 0.413 . . . . 0.01 112.116 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -75.05 -47.79 27.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.311 -0.404 . . . . 0.01 110.139 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -62.49 -23.96 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.639 -0.504 . . . . 0.01 109.639 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.34 -58.95 2.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.01 112.438 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.92 -31.33 2.13 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.604 0.594 . . . . 0.01 112.604 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 14.5 ptp -72.45 -33.14 66.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.01 111.655 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -48.49 71.86 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.009 -0.367 . . . . 0.01 110.009 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.0 -20.39 57.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.117 0.484 . . . . 0.01 110.353 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.21 -44.07 10.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.715 -0.675 . . . . 0.01 111.065 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -56.46 -19.65 16.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 0.01 111.227 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.57 17.46 10.1 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.778 0.323 . . . . 0.01 111.451 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 0.01 111.698 -179.757 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.524 -0.23 . . . . 0.01 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.35 39.26 25.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.01 111.186 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 10.0 tpt -169.1 -48.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.01 110.842 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 90.28 -15.92 58.7 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.953 -0.641 . . . . 0.01 112.769 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 45.6 t 55.43 23.59 5.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.725 0.297 . . . . 0.01 111.082 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 19.4 ttt -170.84 135.1 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.01 110.737 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 98.5 p -66.42 166.63 12.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.01 110.938 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -160.1 115.18 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.01 110.829 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.2 tt -163.44 152.71 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.823 -0.626 . . . . 0.01 110.338 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -151.33 125.47 9.29 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.135 0.42 . . . . 0.01 112.135 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.8 mm -49.58 108.01 0.9 Allowed Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 110.081 -0.341 . . . . 0.01 110.081 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -52.39 163.91 1.53 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.111 1.874 . . . . 0.01 112.873 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -93.18 149.08 2.49 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.959 2.44 . . . . 0.01 111.376 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.17 17.61 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.528 -0.844 . . . . 0.01 112.59 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.28 -60.46 2.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.935 0.398 . . . . 0.01 111.147 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.413 ' O ' HG22 ' C' ' 604' ' ' VAL . 1.2 p -48.62 -45.74 38.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.904 -0.589 . . . . 0.01 111.687 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.49 -35.76 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.01 111.292 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.71 -44.05 51.98 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.206 0.447 . . . . 0.01 112.206 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.81 -34.89 69.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.704 0.288 . . . . 0.01 111.283 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' N ' ' CG2' ' C' ' 604' ' ' VAL . 0.2 OUTLIER -59.89 -41.34 91.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.01 111.176 -179.105 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.42 -45.6 83.2 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.384 -0.913 . . . . 0.01 111.325 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -70.19 -47.82 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.01 109.809 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -55.41 -57.97 9.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.496 -0.775 . . . . 0.01 112.099 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.97 -33.39 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.89 -0.595 . . . . 0.01 112.499 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.72 -42.84 39.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.943 -0.303 . . . . 0.01 110.908 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 24' ' ' GLN . 15.2 t -54.95 -39.33 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.01 110.631 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.36 -42.36 59.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.01 110.799 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -66.19 -23.2 66.41 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.248 0.462 . . . . 0.01 112.248 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -112.87 -44.83 3.25 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.869 0.322 . . . . 0.01 111.869 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . 29.7 mm-40 63.56 79.13 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.107 -0.331 . . . . 0.01 110.107 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.47 172.38 9.3 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.824 2.35 . . . . 0.01 112.603 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -74.71 -31.64 6.55 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.5 2.133 . . . . 0.01 112.413 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.76 132.18 41.97 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.036 0.446 . . . . 0.01 110.97 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.95 -55.95 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.891 -0.595 . . . . 0.01 110.409 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -49.18 -38.59 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-O 120.868 0.366 . . . . 0.01 110.683 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -68.51 -56.13 9.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.01 110.488 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.67 -25.13 16.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.01 111.826 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.475 ' CB ' ' CE1' ' B' ' 36' ' ' PHE . . . -73.11 -45.37 57.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.755 0.28 . . . . 0.01 111.755 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -35.53 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.808 -1.182 . . . . 0.01 107.808 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.91 -36.56 82.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.931 0.396 . . . . 0.01 110.355 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -79.02 -48.96 13.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.59 0.589 . . . . 0.01 112.59 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -68.91 -48.17 63.96 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.569 0.581 . . . . 0.01 112.569 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.4 p -54.58 -48.58 71.93 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.801 -0.36 . . . . 0.01 111.043 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -50.0 -55.86 12.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.01 110.719 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -44.39 64.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.143 -0.48 . . . . 0.01 110.485 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -39.3 88.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.01 110.798 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.79 -28.92 69.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.01 110.749 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.18 90.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.01 111.003 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.75 174.3 7.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.01 110.972 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.21 -0.9 . . . . 0.01 111.061 -179.899 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.545 -0.222 . . . . 0.01 112.545 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -70.34 143.7 51.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.01 111.149 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 19.8 ptp -169.64 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.01 110.673 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -80.64 -67.95 1.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.928 -0.653 . . . . 0.01 112.448 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 18.9 p 57.08 29.47 16.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.01 110.964 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 69.8 mtm -149.19 115.72 5.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.083 -0.508 . . . . 0.01 110.788 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 2.1 m 66.65 103.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 0.01 110.806 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' HIS . . . . . 0.459 ' CD2' ' H ' ' B' ' 2' ' ' HIS . 0.0 OUTLIER -93.06 -55.44 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.721 0.772 . . . . 0.01 109.295 179.366 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 68.43 -156.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 114.252 -1.34 . . . . 0.01 110.973 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.59 114.37 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.633 -0.506 . . . . 0.01 109.633 -178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.96 114.24 14.14 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.445 -0.343 . . . . 0.01 111.227 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.36 175.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.123 1.882 . . . . 0.01 111.51 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -88.04 128.0 2.25 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.495 2.13 . . . . 0.01 112.574 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.8 -26.68 16.9 Favored Glycine 0 C--N 1.335 0.515 0 CA-C-N 116.004 -0.544 . . . . 0.01 112.67 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.72 -45.81 67.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.472 0.177 . . . . 0.01 110.823 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -54.54 -49.14 70.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.133 0.492 . . . . 0.01 110.673 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.41 -29.58 66.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.728 -0.669 . . . . 0.01 111.113 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -57.7 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.01 110.892 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.08 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.01 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.487 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 31.5 mt-30 -70.49 -39.76 74.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.01 110.558 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.03 82.86 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.945 -0.645 . . . . 0.01 113.009 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -79.5 -46.09 18.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.01 110.908 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.7 -53.84 51.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.413 -0.358 . . . . 0.01 111.401 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.03 -31.05 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.01 111.491 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -53.3 7.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.745 -0.662 . . . . 0.01 110.548 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -43.01 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.291 0.567 . . . . 0.01 110.228 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.9 -49.63 74.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.383 -0.826 . . . . 0.01 111.647 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -85.67 -22.83 27.7 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.496 0.924 . . . . 0.01 113.496 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -96.93 -47.62 5.75 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.828 0.347 . . . . 0.01 111.411 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.66 83.72 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.01 110.597 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -85.69 171.18 8.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.762 2.308 . . . . 0.01 112.803 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -73.97 -33.29 6.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.596 2.197 . . . . 0.01 112.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -132.8 144.72 50.42 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.041 0.448 . . . . 0.01 110.779 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.8 mm? -82.92 -42.83 17.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.677 -0.692 . . . . 0.01 110.759 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -57.94 -56.57 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.01 111.326 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.11 -56.47 20.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.01 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -57.24 -27.64 62.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.01 111.193 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.71 -47.1 19.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.01 111.58 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.53 -59.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.01 110.934 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -52.98 -45.17 67.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.206 -0.452 . . . . 0.01 111.006 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.01 110.512 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 32' ' ' ALA . 5.0 m-85 -64.18 -42.8 96.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.769 -0.196 . . . . 0.01 110.926 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 65.4 p -61.64 -41.02 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.01 109.909 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -55.77 -44.78 78.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.578 -0.737 . . . . 0.01 110.655 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tt -67.79 -55.91 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.01 110.499 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -53.21 -57.81 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.01 111.26 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -54.35 -23.45 15.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.212 -0.449 . . . . 0.01 111.78 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.25 -29.0 2.15 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.756 0.312 . . . . 0.01 111.402 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.42 154.19 42.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.01 110.741 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.265 -0.874 . . . . 0.01 111.173 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.67 0.272 . . . . 0.01 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.63 -34.61 4.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.186 -0.461 . . . . 0.01 110.864 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 57.05 64.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.01 111.315 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -73.37 118.7 16.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.381 . . . . 0.01 110.858 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 32.3 mt 66.88 -65.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.01 111.423 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 141.94 145.7 4.56 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.0 -0.619 . . . . 0.01 112.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 51.5 p -172.75 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.663 0.268 . . . . 0.01 111.421 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 68.64 -64.07 0.33 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.374 -0.376 . . . . 0.01 111.027 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 9.9 p 61.54 103.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.917 0.389 . . . . 0.01 111.471 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -77.75 -24.66 64.3 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.902 -0.666 . . . . 0.01 112.205 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 12.9 p90 173.11 25.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.83 0.348 . . . . 0.01 111.078 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 28.7 m -99.89 108.52 52.02 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.22 -0.445 . . . . 0.01 110.699 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.76 67.67 4.73 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.025 1.817 . . . . 0.01 113.229 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 58.87 -82.64 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.866 1.062 . . . . 0.01 113.866 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -46.07 -30.34 1.84 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.638 0.977 . . . . 0.01 113.638 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 47.3 mm -75.77 -28.52 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.861 0.319 . . . . 0.01 111.861 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 594' ' ' TRP . . . . . 0.487 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 73.3 t-105 -80.81 -48.03 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.94 0.719 . . . . 0.01 112.94 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -58.68 -42.14 87.83 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.01 110.57 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -66.9 -60.48 2.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.361 0.504 . . . . 0.01 112.361 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.09 -34.69 14.39 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.508 0.558 . . . . 0.01 112.508 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.7 -31.73 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.01 110.323 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -70.21 -45.92 65.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.01 110.408 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -53.71 -32.63 52.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.335 0.495 . . . . 0.01 112.335 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 41.3 t -82.78 -38.01 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 112.413 0.523 . . . . 0.01 112.413 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.44 -35.56 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 0.01 109.754 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -57.0 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.635 . . . . 0.01 111.148 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 604' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 10' ' ' THR . 8.9 p -60.29 -26.74 37.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.899 0.381 . . . . 0.01 111.896 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -72.72 -50.06 27.1 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.113 -0.494 . . . . 0.01 110.282 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -25.12 68.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.481 . . . . 0.01 110.012 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 607' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' C' ' 610' ' ' THR . 18.2 mt-30 -79.97 -57.48 3.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.266 0.469 . . . . 0.01 112.266 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.89 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.884 -0.51 . . . . 0.01 112.341 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -67.19 -33.52 75.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 0.01 110.876 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 610' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -70.6 -38.2 73.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.232 -0.655 . . . . 0.01 109.232 178.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.02 -27.47 69.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.394 0.616 . . . . 0.01 109.863 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.82 -55.67 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.121 -0.945 . . . . 0.01 111.396 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -48.28 -24.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.01 112.574 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -169.31 53.25 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.516 -0.474 . . . . 0.01 112.182 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.172 -0.918 . . . . 0.01 111.118 179.257 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.7 mm -46.26 104.65 0.41 Allowed Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.22 154.17 19.41 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.06 1.84 . . . . 0.0 112.465 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.13 156.44 17.39 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.456 2.104 . . . . 0.0 112.211 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.04 -21.57 7.86 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.372 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -29.26 66.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.016 0.408 . . . . 0.0 110.789 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -47.57 69.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.859 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.44 -31.19 70.33 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.52 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.17 -46.17 71.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.636 0.255 . . . . 0.0 111.452 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.699 ' HB2' HG21 ' C' ' 604' ' ' VAL . 63.3 mt -73.43 -32.15 64.23 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.086 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' HG21 ' C' ' 604' ' ' VAL . 0.0 OUTLIER -58.58 -47.23 84.99 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.333 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.51 -48.09 55.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.88 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 49.7 t80 -70.43 -49.12 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.054 0.454 . . . . 0.0 110.635 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.71 ' O ' HD12 ' A' ' 21' ' ' LEU . 9.4 m -57.18 -59.88 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.105 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.12 -29.53 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -77.48 -33.04 54.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.622 0.249 . . . . 0.0 111.419 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.522 HG11 HD13 ' B' ' 9' ' ' LEU . 0.3 OUTLIER -62.34 -39.28 83.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.537 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 17' ' ' THR . 2.9 mp -75.67 -47.57 25.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -50.62 -36.06 33.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.956 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -107.63 -29.39 9.18 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 56.31 71.24 1.23 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.679 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.65 165.25 27.21 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.766 2.31 . . . . 0.0 112.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -88.56 -16.24 2.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.695 2.263 . . . . 0.0 113.694 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -132.28 140.58 48.67 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 121.21 0.529 . . . . 0.0 111.617 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD22 HD12 ' B' ' 9' ' ' LEU . 12.3 mt -92.39 -43.84 9.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.55 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.34 -45.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.12 -55.87 7.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.266 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 66.3 t80 -54.85 -25.6 29.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.409 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -73.32 -52.1 15.12 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.495 HG21 HG22 ' B' ' 37' ' ' THR . 9.0 p -70.29 -29.16 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.61 -38.53 73.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -78.69 -44.34 23.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.13 -51.09 26.96 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.6 p -55.47 -51.99 65.1 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.222 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -53.32 -50.56 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.39 -52.94 19.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.645 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.226 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo . . . . . 0 CA--C 1.529 0.256 0 CA-C-O 120.98 0.325 . . . . 0.0 112.779 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.8 15.68 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.522 HD13 HG11 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.675 0.274 . . . . 0.0 110.663 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -55.56 -47.06 76.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.98 0.419 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -67.26 -39.23 86.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.733 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.24 -51.83 67.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.5 0.19 . . . . 0.0 110.918 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.407 HD13 ' HG ' ' B' ' 9' ' ' LEU . 7.9 mp -63.15 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.544 ' NE2' ' CZ3' ' C' ' 594' ' ' TRP . 2.1 tt0 -68.85 -46.68 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.878 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.72 43.09 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.674 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -80.62 -47.56 13.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 111.302 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -54.7 -47.72 73.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.981 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' CB ' ' C' ' 597' ' ' ALA . 27.0 m -51.46 -31.4 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.133 0.492 . . . . 0.0 111.023 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.439 ' OE1' ' CE2' ' B' ' 31' ' ' PHE . 18.1 tt0 -76.01 -42.07 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.475 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' GLN . 48.8 t -60.09 -47.38 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.42 -49.4 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.067 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -84.77 -22.81 29.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -97.4 -45.42 6.46 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.181 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 20' ' ' VAL . 41.3 mm-40 57.7 85.98 0.17 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.659 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.49 169.04 5.96 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.103 2.535 . . . . 0.0 112.731 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.98 -37.56 6.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.269 1.979 . . . . 0.0 111.559 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -133.01 134.07 43.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -73.13 -44.18 60.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.407 HG13 ' N ' ' B' ' 30' ' ' GLU . 10.1 p -63.12 -44.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.664 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' HG13 ' B' ' 29' ' ' VAL . 15.0 tt0 -70.94 -33.9 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' PHE . . . . . 0.439 ' CE2' ' OE1' ' B' ' 19' ' ' GLU . 39.9 t80 -72.24 -29.19 63.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.896 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.87 -52.55 8.7 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.855 ' O ' HG23 ' B' ' 37' ' ' THR . 10.6 m -45.99 -43.92 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.513 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -72.99 -35.63 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.72 -39.15 90.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.295 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -77.51 -34.54 54.02 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.855 HG23 ' O ' ' B' ' 33' ' ' VAL . 69.3 p -66.92 -43.2 83.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.111 0.482 . . . . 0.0 110.046 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -60.9 -39.99 91.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.422 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.05 -55.9 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.459 -179.383 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -51.22 -24.73 4.62 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.47 -28.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.544 ' CZ3' ' NE2' ' B' ' 14' ' ' GLN . 54.3 t-105 -80.22 -48.49 13.02 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -57.31 -44.86 84.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -64.63 -59.46 4.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 597' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' B' ' 18' ' ' VAL . . . -48.98 -34.74 13.64 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.75 -35.88 81.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.549 0.214 . . . . 0.0 110.806 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.77 -46.2 79.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 38.2 t -69.64 -38.08 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -65.58 -37.99 88.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.917 0.389 . . . . 0.0 110.052 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.1 -57.17 7.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 13' ' ' LEU . 11.5 p -61.17 -26.92 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 112.098 0.406 . . . . 0.0 112.098 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -72.53 -47.58 47.21 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -67.77 -24.92 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.481 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -59.37 2.77 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.64 -31.45 2.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.945 -0.472 . . . . 0.0 111.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -31.85 71.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.289 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 2.8 m -67.73 -41.07 84.04 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.29 -23.83 57.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.0 109.941 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.44 HD11 HD13 ' A' ' 21' ' ' LEU . 61.9 mt -86.84 -47.51 8.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.787 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.231 -179.692 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 120.708 0.289 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.3 mm -43.21 102.39 0.28 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.6 108.25 0.18 Allowed 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.486 2.124 . . . . 0.0 112.824 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.99 150.87 6.26 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.238 1.959 . . . . 0.0 112.331 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.1 -24.9 5.75 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.367 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.539 HD23 HD12 ' B' ' 28' ' ' LEU . 1.9 tm? -62.09 -32.97 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.179 0.49 . . . . 0.0 110.559 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.646 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.78 -28.04 68.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.19 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.35 -41.83 65.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 111.303 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.481 ' HG ' HD22 ' B' ' 13' ' ' LEU . 7.1 mp -75.18 -28.56 60.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.033 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -47.12 81.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.22 60.51 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.349 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 54.5 t80 -75.34 -50.64 15.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.903 0.382 . . . . 0.0 110.926 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.612 HG21 ' HA ' ' C' ' 605' ' ' LYS . 25.1 m -51.77 -59.95 3.72 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.44 -32.06 16.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -52.87 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.201 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -48.0 -37.82 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.62 -52.22 11.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.297 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -22.96 63.41 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -98.83 -34.56 10.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.215 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 57.06 73.57 0.77 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.723 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.82 163.28 16.07 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 0.0 112.444 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.16 -31.1 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.547 2.165 . . . . 0.0 112.569 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.24 139.84 48.44 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 110.98 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -82.02 -28.8 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.931 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HD11 ' B' ' 12' ' ' LEU . 4.0 t -75.17 -56.32 9.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.887 0.375 . . . . 0.0 111.194 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.16 92.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.23 -25.06 66.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -70.55 -43.16 70.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.637 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -55.5 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.25 -37.0 15.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.72 0.295 . . . . 0.0 111.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -78.65 -50.89 10.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 6.4 m-85 -67.0 -38.05 85.31 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.2 p -63.23 -51.31 66.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.953 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -57.62 -48.84 78.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.37 -56.01 9.25 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.928 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.181 179.838 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 CA--C 1.532 0.409 0 N-CA-C 112.839 0.284 . . . . 0.0 112.839 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -27.95 16.26 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.897 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -50.56 -47.54 57.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.53 0.205 . . . . 0.0 111.223 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -54.66 -48.88 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -54.89 -53.65 52.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.768 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.456 HD11 HG22 ' A' ' 29' ' ' VAL . 3.3 mm? -50.49 -57.61 7.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.374 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.481 HD22 ' HG ' ' A' ' 13' ' ' LEU . 93.1 mt -58.6 -23.85 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.38 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -43.68 74.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.747 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.55 -34.28 80.7 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.114 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.703 ' O ' HG23 ' B' ' 20' ' ' VAL . 29.3 t80 -78.26 -49.5 13.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.52 0.2 . . . . 0.0 111.45 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -52.84 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.326 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 m -47.97 -36.57 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.965 0.412 . . . . 0.0 111.944 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -79.09 -52.62 7.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 16' ' ' TYR . 96.5 t -48.38 -54.41 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.1 -41.09 82.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -71.83 -25.68 62.07 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -104.45 -45.01 4.77 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 61.65 79.34 0.28 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -82.33 167.69 15.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.61 2.207 . . . . 0.0 112.776 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.55 -35.04 18.26 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.421 2.08 . . . . 0.0 111.805 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -132.45 131.96 42.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 9' ' ' LEU . 3.8 mm? -70.49 -36.73 74.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.721 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.59 -52.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.07 -42.55 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -72.0 -26.14 62.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.225 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.21 -44.72 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -35.71 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.833 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -77.9 -40.22 40.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.841 0.353 . . . . 0.0 111.388 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -60.03 -52.86 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 26.4 m-85 -62.94 -46.89 85.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.259 -0.176 . . . . 0.0 111.415 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -58.51 -37.17 75.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.994 0.426 . . . . 0.0 110.007 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.52 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.731 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -52.39 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.549 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -48.15 -23.46 0.86 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -26.1 11.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.114 -0.366 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -73.04 -47.62 43.24 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.08 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -57.4 -43.15 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -66.99 -56.89 8.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.28 -38.05 17.85 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.23 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.2 -44.76 83.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.557 ' O ' HG12 ' C' ' 604' ' ' VAL . . . -55.25 -36.04 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.709 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 601' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 23.3 t -80.0 -45.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.51 -37.58 87.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 110.248 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -70.07 -57.26 5.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.557 HG12 ' O ' ' C' ' 600' ' ' ALA . 7.2 p -61.62 -28.11 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 605' ' ' LYS . . . . . 0.612 ' HA ' HG21 ' A' ' 17' ' ' THR . 17.8 ttpp -76.4 -47.01 24.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.382 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -63.32 -31.84 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.782 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -77.43 -48.33 17.46 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.56 -31.81 3.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.385 0.539 . . . . 0.0 110.92 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 27.1 ttp -64.88 -36.65 85.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.123 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 69.3 m -67.25 -39.52 86.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.3 -26.8 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.724 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.6 -49.22 6.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.766 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.369 -179.668 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 N-CA-C 111.117 0.043 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.4 mm -52.58 106.11 0.61 Allowed Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 33.0 Cg_exo -62.4 138.29 70.21 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.09 1.86 . . . . 0.0 112.636 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 26.6 Cg_exo -61.91 160.87 27.7 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.882 1.721 . . . . 0.0 112.048 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.3 -23.99 3.75 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.033 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -53.2 33.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.522 0.661 . . . . 0.0 110.915 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -45.11 61.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.38 -38.32 77.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.43 -43.47 66.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.407 . . . . 0.0 111.268 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' HB2' HG21 ' C' ' 604' ' ' VAL . 14.5 mt -75.34 -31.91 60.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.188 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 18' ' ' VAL . 21.4 tt0 -64.84 -43.03 94.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.214 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.95 -41.63 77.56 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.816 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 20' ' ' VAL . 48.0 t80 -70.64 -48.4 55.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.373 . . . . 0.0 111.12 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.416 HG21 ' HA ' ' C' ' 605' ' ' LYS . 1.9 m -55.67 -59.87 4.24 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' GLN . 26.1 m -48.98 -26.97 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.02 -44.91 21.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 16' ' ' TYR . 4.8 t -57.57 -38.91 66.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.456 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 mt -74.41 -35.59 63.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.275 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.21 -23.1 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -106.22 -41.98 5.19 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.653 0.263 . . . . 0.0 111.494 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 59.97 78.59 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.837 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -82.31 170.18 13.56 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.42 -33.07 7.35 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.421 2.081 . . . . 0.0 112.254 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.86 153.21 51.54 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.248 0.547 . . . . 0.0 111.17 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.73 -42.6 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 30' ' ' GLU . 13.9 p -64.58 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.523 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' N ' HG13 ' A' ' 29' ' ' VAL . 36.1 mt-10 -69.28 -50.79 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.4 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -56.05 -25.21 44.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.527 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.83 -44.07 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.582 HG13 ' OG1' ' A' ' 37' ' ' THR . 78.7 t -63.98 -56.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -47.73 -35.44 9.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.57 -55.62 5.06 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -75.41 -38.13 60.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.582 ' OG1' HG13 ' A' ' 33' ' ' VAL . 3.6 m -66.26 -43.31 86.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -77.53 -25.78 50.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.767 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 tp -59.44 -55.17 37.99 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.299 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.977 179.291 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.46 -0.456 0 CA-C-O 120.759 0.233 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.45 -28.94 3.08 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.866 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.63 -47.18 82.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.1 m -54.49 -48.14 72.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.882 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.32 -29.86 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.519 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.25 -57.47 8.38 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.78 -35.16 68.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -68.19 -44.16 76.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.995 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.88 -35.92 49.02 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -80.06 -46.77 15.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.379 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m -55.8 -49.73 72.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.331 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 m -51.88 -33.01 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.74 -38.6 53.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.678 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' B' ' 24' ' ' GLN . 77.7 t -60.91 -50.68 79.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -74.2 -23.36 59.19 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -109.98 -52.34 2.78 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.686 0.279 . . . . 0.0 111.651 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' B' ' 20' ' ' VAL . 48.1 mt-30 64.28 83.64 0.19 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -86.61 173.59 6.21 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.847 2.365 . . . . 0.0 112.781 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.13 -28.36 9.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -132.21 135.46 46.33 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.026 0.441 . . . . 0.0 110.893 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -78.59 -41.58 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.17 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.457 HG13 ' N ' ' B' ' 30' ' ' GLU . 10.4 p -67.36 -46.94 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.457 ' N ' HG13 ' B' ' 29' ' ' VAL . 27.1 tt0 -59.21 -56.37 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.49 -25.72 38.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.98 -48.02 17.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.842 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.9 -55.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 110.821 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.54 -39.98 81.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.209 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.28 -60.33 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.402 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 39.1 m-85 -59.53 -42.99 93.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.537 0.208 . . . . 0.0 111.51 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -57.49 -31.27 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -76.89 -36.74 56.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -56.1 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.56 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.845 -179.61 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 . . . . . 0 N--CA 1.466 0.34 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -49.08 -26.46 2.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 111.982 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 2.0 mm -73.34 -26.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.225 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.432 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 58.8 t-105 -78.59 -47.9 16.23 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -45.12 81.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.05 -57.88 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.771 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -40.71 28.77 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 120.866 0.365 . . . . 0.0 111.567 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.15 -34.73 76.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -64.47 -45.35 87.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.264 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.56 -43.92 72.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.044 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.7 -44.63 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -61.81 -34.78 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -74.02 -53.41 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.401 HG21 ' HB2' ' A' ' 13' ' ' LEU . 2.5 p -65.35 -29.71 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 605' ' ' LYS . . . . . 0.416 ' HA ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -75.64 -44.9 40.25 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -63.86 -23.79 67.49 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.48 -55.25 5.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.921 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 608' ' ' ALA . . . . . 0.405 ' HB1' ' CG1' ' A' ' 18' ' ' VAL . . . -45.05 -33.95 2.32 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -27.51 62.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.588 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 14.4 m -74.28 -42.07 60.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.58 -32.69 70.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.323 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 4.2 pp -89.35 -24.58 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.611 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 179.666 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 C--O 1.231 0.101 0 N-CA-C 111.341 0.126 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.7 mm -39.29 100.69 0.22 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 120.591 0.234 . . . . 0.0 110.721 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.09 111.32 0.46 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.606 2.204 . . . . 0.0 113.144 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.42 144.33 24.7 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.038 1.825 . . . . 0.0 112.084 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.25 -26.46 7.84 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.262 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.2 tt -55.83 -42.91 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 0.0 110.62 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.91 HG23 HG12 ' C' ' 604' ' ' VAL . 85.4 m -57.39 -42.34 82.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -29.69 70.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.09 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.59 -43.48 63.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.541 HD12 HG11 ' C' ' 604' ' ' VAL . 29.0 mt -71.25 -40.49 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.58 -42.32 74.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.15 -49.41 59.66 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.306 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.39 -42.19 96.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -55.17 -59.58 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.159 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 m -55.39 -33.38 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.742 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.6 -45.51 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.729 0.299 . . . . 0.0 110.797 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' B' ' 9' ' ' LEU . 55.3 t -66.67 -34.03 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.263 0.554 . . . . 0.0 109.974 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mp -74.56 -37.43 62.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.468 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HB2' HD21 ' C' ' 612' ' ' LEU . 4.4 tmm_? -85.46 -23.04 27.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.928 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.33 -51.8 2.83 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 65.57 91.57 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.47 173.81 2.12 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.112 2.541 . . . . 0.0 112.724 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -74.47 -31.03 7.53 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.443 2.095 . . . . 0.0 111.986 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -132.61 137.05 46.91 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.96 -53.03 7.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.01 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -55.26 -38.77 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -53.56 28.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -58.42 -28.42 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.607 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.37 -42.03 88.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.61 HG11 HG23 ' B' ' 37' ' ' THR . 0.2 OUTLIER -66.82 -59.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -49.34 -32.59 11.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.849 0.357 . . . . 0.0 110.945 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -78.77 -49.03 13.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -73.22 -50.76 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.52 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -55.38 -48.64 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.579 0.228 . . . . 0.0 111.589 -178.743 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.48 -55.06 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 CA--C 1.53 0.296 0 N-CA-C 112.902 0.308 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.1 -36.66 3.59 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.866 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.486 ' CD1' HG11 ' A' ' 20' ' ' VAL . 4.1 tt -53.08 -45.37 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.65 0.262 . . . . 0.0 111.005 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.9 m -54.88 -45.83 74.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.895 0.378 . . . . 0.0 110.822 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -62.77 -33.05 74.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.756 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.93 -47.78 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.578 0.227 . . . . 0.0 111.295 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.95 -53.53 48.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.54 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.442 HE22 ' HH2' ' C' ' 594' ' ' TRP . 0.9 OUTLIER -57.88 -31.12 66.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.997 -179.183 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.401 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.8 -35.46 82.32 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.675 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -79.7 -42.64 24.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 109.934 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -56.16 -45.21 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.855 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.401 HG22 ' O ' ' B' ' 15' ' ' GLY . 16.0 m -54.97 -28.68 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.35 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -79.12 -47.54 15.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' B' ' 24' ' ' GLN . 29.4 t -52.95 -47.36 53.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.183 0.516 . . . . 0.0 110.145 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.98 -42.92 91.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.46 -23.22 40.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -107.59 -50.41 3.07 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 63.28 76.83 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.941 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -80.23 170.46 16.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.687 2.258 . . . . 0.0 112.766 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -71.47 -32.93 11.6 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.499 2.132 . . . . 0.0 112.091 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.53 136.8 46.87 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.114 0.483 . . . . 0.0 110.717 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 mt -72.32 -40.41 67.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.137 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.71 -56.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -48.87 23.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.894 0.378 . . . . 0.0 110.773 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -69.06 -25.43 64.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.583 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.79 -46.21 22.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.722 0.296 . . . . 0.0 111.72 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.454 ' O ' ' OG1' ' B' ' 37' ' ' THR . 0.0 OUTLIER -54.96 -59.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 109.92 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.93 -35.48 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.403 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -68.8 -52.76 26.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.471 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.71 -45.67 28.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.567 0.222 . . . . 0.0 111.548 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.61 HG23 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -60.73 -27.29 67.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.239 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -75.45 -36.35 60.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 109.939 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.06 -48.58 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.248 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' B' ' 40' ' ' ARG . 27.2 tpt180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.11 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -45.19 -29.62 0.99 Allowed 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 23.7 mm -74.64 -27.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.25 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.442 ' HH2' HE22 ' B' ' 14' ' ' GLN . 64.7 t-105 -79.85 -47.36 15.26 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.263 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -56.05 -44.74 79.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -66.13 -58.17 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.615 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.52 20.49 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 111.7 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.9 -39.74 79.57 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.424 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.91 -44.09 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.899 ' O ' HG13 ' C' ' 604' ' ' VAL . . . -54.03 -55.02 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 601' ' ' VAL . . . . . 0.402 ' HA ' HG22 ' C' ' 604' ' ' VAL . 21.4 t -63.73 -39.04 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.77 -37.93 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.89 -51.77 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.91 HG12 HG23 ' A' ' 10' ' ' THR . 1.4 m -59.81 -28.1 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.489 . . . . 0.0 111.719 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -76.03 -49.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.838 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.572 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 607' ' ' GLN . . . . . 0.44 ' O ' ' OG1' ' C' ' 610' ' ' THR . 49.2 mt-30 -79.4 -54.94 5.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.006 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.42 -33.23 3.76 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.192 0.52 . . . . 0.0 111.546 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 4.0 mtm -69.57 -34.24 73.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 610' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -65.67 -35.81 81.86 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.546 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.17 -24.86 67.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.367 0.603 . . . . 0.0 109.494 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -89.63 -51.43 5.53 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.867 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -179.575 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.231 0.085 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.9 mm -39.23 99.23 0.19 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.022 0.202 . . . . 0.0 111.118 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.85 112.03 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.394 2.063 . . . . 0.0 112.502 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -45.82 157.12 0.37 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.206 1.937 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.7 -20.7 17.64 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.33 -32.84 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.51 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -65.57 -34.15 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.76 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -44.58 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 111.385 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.62 ' HG ' HD22 ' B' ' 13' ' ' LEU . 7.3 mp -73.93 -28.02 61.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.7 -44.54 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.71 -46.38 82.63 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.656 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.457 ' HD2' HD21 ' B' ' 13' ' ' LEU . 35.7 t80 -71.06 -47.22 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.064 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' HD12 ' A' ' 21' ' ' LEU . 58.6 m -58.43 -60.52 3.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.123 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.62 -26.31 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.693 0.282 . . . . 0.0 111.571 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -79.0 -41.43 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -39.2 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 0.0 110.747 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 17' ' ' THR . 1.1 mt -75.88 -49.04 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.242 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -63.02 -23.3 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -37.09 5.98 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 19.2 mm-40 59.16 74.55 0.58 Allowed Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.39 166.06 14.17 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.965 2.443 . . . . 0.0 113.264 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.04 -31.31 3.06 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.734 2.29 . . . . 0.0 112.672 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.23 145.22 51.18 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.288 0.566 . . . . 0.0 110.77 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.777 HD22 HD23 ' B' ' 9' ' ' LEU . 18.1 mt -86.64 -47.96 8.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.966 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 p -52.92 -40.59 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -73.84 -56.18 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -49.66 -27.69 4.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.96 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.6 -43.75 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.581 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 37' ' ' THR . 0.3 OUTLIER -72.61 -28.82 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.303 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.55 -36.97 71.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -79.15 -47.0 16.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.364 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.43 -51.14 60.1 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 33' ' ' VAL . 69.4 p -52.63 -52.73 54.24 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.919 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -56.06 15.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.22 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.58 -51.83 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.346 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo . . . . . 0 CA--C 1.529 0.268 0 CA-C-O 121.017 0.341 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -30.32 6.77 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.826 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.777 HD23 HD22 ' A' ' 28' ' ' LEU . 3.3 tm? -56.21 -42.63 77.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.596 0.236 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -52.48 -39.98 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.29 -44.93 78.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.219 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.88 -52.76 59.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.708 -0.223 . . . . 0.0 110.779 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' A' ' 13' ' ' LEU . 85.4 mt -60.59 -37.54 81.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.566 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 5.5 tt0 -66.14 -45.65 80.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.875 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.12 -36.54 52.32 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.184 -0.532 . . . . 0.0 112.656 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -79.69 -45.35 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.524 HG21 ' HB3' ' C' ' 600' ' ' ALA . 2.0 m -61.74 -29.41 70.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.4 -28.37 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.286 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -79.25 -47.62 15.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.902 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.509 HG12 ' O ' ' B' ' 17' ' ' THR . 5.9 p -53.05 -44.12 49.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -49.21 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -69.99 -23.47 63.15 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -101.57 -45.83 5.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.89 0.376 . . . . 0.0 111.738 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 64.21 71.17 0.6 Allowed Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.62 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -83.51 163.86 14.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.055 2.503 . . . . 0.0 112.392 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -76.54 -26.64 8.35 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.511 2.14 . . . . 0.0 113.118 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -132.42 136.91 47.07 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.086 0.469 . . . . 0.0 111.167 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.407 HD22 ' N ' ' B' ' 28' ' ' LEU . 2.4 mm? -83.3 -44.91 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.04 -39.42 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -71.47 -56.01 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.353 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.14 -28.82 55.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.141 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 -51.24 10.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.049 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.41 ' CG2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -57.19 -36.22 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.772 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -77.87 -36.01 50.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.903 0.383 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.37 -44.99 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.44 -41.95 75.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.492 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -60.61 -40.1 90.62 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.108 0.48 . . . . 0.0 110.082 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -58.5 -42.68 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.339 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.14 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.511 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -45.33 -28.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 7.8 mm -73.61 -27.97 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.213 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.566 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 56.6 t-105 -80.16 -47.22 15.05 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -60.2 -41.33 92.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.278 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -69.3 -58.14 4.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.734 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -33.65 10.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 111.396 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.787 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.05 -46.31 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.715 0.293 . . . . 0.0 110.3 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.524 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -50.93 -41.79 59.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.83 -39.37 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -66.2 -41.72 89.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.314 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.73 -57.16 8.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.458 HG12 ' O ' ' C' ' 600' ' ' ALA . 9.4 p -62.11 -26.57 40.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.955 0.407 . . . . 0.0 111.887 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -73.13 -49.45 28.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.982 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -65.32 -23.77 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.048 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -79.61 -59.24 2.82 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.19 -30.83 2.12 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -63.78 -33.1 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.388 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 6.3 m -67.55 -42.26 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.48 -25.06 61.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.352 0.596 . . . . 0.0 110.104 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.7 -38.13 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.151 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.1 -179.004 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.51 115.84 28.29 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.301 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.63 144.4 15.66 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.126 1.884 . . . . 0.0 112.178 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -86.21 34.86 0.47 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.329 2.019 . . . . 0.0 113.403 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.05 -39.8 0.47 Allowed Glycine 0 CA--C 1.51 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.658 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.649 HD12 ' CD2' ' B' ' 28' ' ' LEU . 0.7 OUTLIER -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -61.05 -44.32 97.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -28.81 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.14 -39.94 62.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 111.172 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HB3' HG11 ' C' ' 604' ' ' VAL . 6.3 mp -73.45 -35.87 65.81 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.267 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.7 -43.57 97.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.426 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.21 65.2 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.356 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -71.83 -48.76 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -56.83 -59.77 4.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.326 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -53.78 -28.12 16.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.941 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -78.83 -41.02 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.079 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG11 HD12 ' B' ' 9' ' ' LEU . 45.1 t -60.41 -37.43 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.936 0.398 . . . . 0.0 110.689 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.32 -35.26 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.317 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -82.62 -23.41 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -114.87 -49.55 2.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.0 mt-30 66.17 92.79 0.06 OUTLIER Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.66 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -89.24 169.82 4.95 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.93 2.42 . . . . 0.0 112.553 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.25 -36.1 12.82 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.26 1.973 . . . . 0.0 111.75 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -132.8 133.8 43.85 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.779 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.6 mp -81.16 -23.96 37.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 ' HG2' ' B' ' 40' ' ' ARG . 9.3 t -70.26 -50.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.82 -49.34 59.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.284 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -48.7 -25.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.978 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.26 -38.95 60.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.62 -59.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.12 -30.71 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -78.62 -44.77 23.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.647 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.49 -41.69 46.2 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.329 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.0 p -58.5 -55.44 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.51 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -53.59 -36.23 61.71 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.945 0.402 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.48 -52.38 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.855 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.558 ' HG2' HG22 ' B' ' 29' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.865 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 CA--C 1.531 0.357 0 N-CA-C 112.98 0.338 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.11 -30.31 4.83 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.363 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 20' ' ' VAL . 4.9 tt -53.67 -42.75 68.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.569 0.223 . . . . 0.0 111.159 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.4 m -51.98 -40.9 61.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 0.0 111.385 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -74.16 -42.81 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.46 -57.57 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.75 -35.57 78.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.822 0.344 . . . . 0.0 110.274 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -63.74 -44.37 93.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -37.63 56.72 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.794 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 71.7 t80 -79.97 -47.18 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.585 HG23 HD22 ' A' ' 9' ' ' LEU . 3.7 m -55.73 -48.35 75.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.074 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.4 m -48.17 -25.95 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.97 -40.98 30.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' B' ' 21' ' ' LEU . 0.8 OUTLIER -59.6 -43.28 90.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.821 0.343 . . . . 0.0 111.167 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' B' ' 20' ' ' VAL . 3.5 mm? -61.68 -53.4 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.522 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -79.01 -22.97 44.71 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.87 -51.27 3.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.736 0.303 . . . . 0.0 111.246 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 63.98 65.25 1.19 Allowed Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.485 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.06 166.24 29.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.851 2.367 . . . . 0.0 112.221 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.03 -25.94 8.31 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.453 2.102 . . . . 0.0 113.175 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.36 134.0 44.66 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.097 0.475 . . . . 0.0 111.132 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.649 ' CD2' HD12 ' A' ' 9' ' ' LEU . 4.3 mt -81.21 -50.52 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.077 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.558 HG22 ' HG2' ' A' ' 40' ' ' ARG . 12.5 p -58.96 -43.75 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.802 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.446 ' N ' HG13 ' B' ' 29' ' ' VAL . 17.6 tt0 -67.92 -56.5 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.41 -25.1 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.66 -38.29 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.405 ' O ' HG23 ' B' ' 37' ' ' THR . 42.0 t -61.08 -51.63 70.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 0.0 110.74 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.44 -45.03 96.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.54 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.1 -60.32 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.418 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.95 -41.44 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.486 0.184 . . . . 0.0 111.11 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 33' ' ' VAL . 24.4 p -64.67 -40.07 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -55.2 -46.83 75.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.308 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.52 -55.66 31.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.588 ' HG2' HG12 ' A' ' 29' ' ' VAL . 21.1 mmm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.609 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 . . . . . 0 CA--C 1.532 0.255 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.63 -21.88 7.67 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 13.3 mm -73.42 -27.54 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.366 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.442 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 34.0 t-105 -79.94 -46.98 15.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -58.17 -43.72 87.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.196 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.76 -54.39 16.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.176 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.39 -34.08 15.36 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.9 -33.72 76.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.175 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.42 -45.27 84.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.054 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.51 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.84 -37.84 64.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.967 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 601' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 48.7 t -78.31 -41.16 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.96 -36.4 82.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.0 -56.96 6.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.412 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 13' ' ' LEU . 9.6 p -60.43 -27.6 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 605' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 0.6 OUTLIER -76.96 -48.61 17.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.45 -32.53 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.443 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 607' ' ' GLN . . . . . 0.88 ' O ' HG22 ' C' ' 610' ' ' THR . 17.8 pt20 -79.4 -46.67 17.12 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -48.23 -34.24 9.92 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.687 0.676 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 5.4 ptm -65.9 -32.49 74.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.584 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 610' ' ' THR . . . . . 0.88 HG22 ' O ' ' C' ' 607' ' ' GLN . 5.1 t -70.88 -31.7 68.44 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.2 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.45 -25.02 66.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.535 0.683 . . . . 0.0 109.875 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.4 -44.01 11.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.828 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 C--O 1.231 0.091 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.0 mm -42.89 103.92 0.34 Allowed Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.85 -0.159 . . . . 0.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.27 111.57 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.614 2.21 . . . . 0.0 113.279 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.64 147.36 13.5 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.0 1.8 . . . . 0.0 111.931 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.24 -22.98 8.77 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.063 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.57 -41.88 77.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.977 0.388 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -56.24 -41.36 75.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.63 -32.86 74.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.501 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.38 -42.62 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' C' ' 604' ' ' VAL . 7.3 mp -72.34 -32.19 66.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.4 94.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.29 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.39 -44.79 66.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.823 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.656 ' O ' HG23 ' A' ' 20' ' ' VAL . 41.5 t80 -73.62 -50.77 19.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.244 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -51.81 -58.52 6.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.929 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.33 -32.72 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.589 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -75.93 -43.93 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.523 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 16' ' ' TYR . 93.4 t -54.56 -45.12 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.556 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD23 HD22 ' C' ' 612' ' ' LEU . 16.3 tp -75.48 -32.96 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 112.031 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -60.64 -39.23 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -111.09 -23.69 10.76 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 55.05 86.38 0.17 Allowed Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.699 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -84.03 169.45 11.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.659 2.239 . . . . 0.0 112.461 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.25 -30.22 5.65 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.55 2.167 . . . . 0.0 112.527 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -132.72 140.17 47.96 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.115 0.483 . . . . 0.0 111.276 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.5 -53.57 6.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.373 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 30' ' ' GLU . 8.6 p -53.95 -46.06 64.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.619 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' N ' HG13 ' A' ' 29' ' ' VAL . 7.8 tp10 -65.18 -55.96 15.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.996 0.427 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.03 -25.31 29.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.2 -43.5 74.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.386 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.46 -57.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -47.79 -35.02 9.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 0.0 111.317 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -78.62 -49.99 12.27 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.2 -41.17 81.75 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.0 p -59.12 -52.02 67.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -50.78 -55.43 16.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tt -50.88 -55.83 15.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.71 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo . . . . . 0 N--CA 1.464 -0.256 0 N-CA-C 112.837 0.283 . . . . 0.0 112.837 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.19 -34.58 4.86 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.75 -42.77 65.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.594 0.235 . . . . 0.0 110.673 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.508 HG22 ' OE1' ' B' ' 14' ' ' GLN . 1.3 m -59.7 -51.88 67.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.044 0.449 . . . . 0.0 111.292 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.07 -44.63 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.876 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.97 -55.89 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.247 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.38 -31.6 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.225 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.508 ' OE1' HG22 ' B' ' 10' ' ' THR . 32.4 mt-30 -68.17 -42.68 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.637 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.08 87.61 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.465 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -79.79 -48.69 13.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.59 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -52.49 -53.23 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 m -46.79 -35.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.1 -34.87 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' B' ' 24' ' ' GLN . 26.4 t -64.92 -44.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.157 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.74 -53.33 59.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.131 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -71.41 -23.43 61.86 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -107.86 -52.24 2.79 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.863 0.363 . . . . 0.0 111.67 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' B' ' 20' ' ' VAL . 45.3 mt-30 64.16 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -90.12 168.45 4.42 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.925 2.417 . . . . 0.0 112.491 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.89 -36.53 22.9 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.316 2.01 . . . . 0.0 112.004 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -132.97 135.89 45.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.51 -42.73 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.35 -37.58 74.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.807 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.14 -46.32 43.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -66.25 -26.0 67.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 -46.36 21.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.126 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' B' ' 37' ' ' THR . 1.6 p -59.53 -31.84 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.863 0.363 . . . . 0.0 111.196 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.16 -44.13 26.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.152 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.42 -57.18 14.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 35.8 m-85 -59.38 -44.65 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.436 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 33' ' ' VAL . 24.4 p -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.998 0.428 . . . . 0.0 110.278 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -56.78 -42.38 79.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.76 -52.1 66.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.585 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.48 -35.34 8.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 20.9 mm -71.87 -27.72 28.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.772 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -79.86 -48.83 12.86 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -54.92 -45.27 74.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -67.31 -59.33 3.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.91 -37.92 21.2 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.51 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.531 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.563 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.437 ' O ' HG12 ' C' ' 604' ' ' VAL . . . -54.84 -47.01 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 601' ' ' VAL . . . . . 0.464 HG21 ' HG3' ' B' ' 14' ' ' GLN . 29.1 t -69.26 -42.95 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -65.9 -38.1 87.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.207 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.07 -57.09 5.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.437 HG12 ' O ' ' C' ' 600' ' ' ALA . 8.8 p -61.86 -27.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.43 . . . . 0.0 111.834 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.95 -48.77 22.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.55 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -57.99 -27.27 63.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.451 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -79.33 -54.52 5.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.96 -36.87 13.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -70.34 -28.87 65.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.731 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 1.5 m -67.11 -38.32 85.43 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.94 -21.27 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.446 0.641 . . . . 0.0 109.404 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.474 HD22 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -84.12 -44.65 13.8 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.615 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.184 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.455 0.169 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.3 mm -42.07 100.92 0.23 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.618 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.05 114.49 1.42 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.599 2.2 . . . . 0.0 113.168 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.78 152.22 3.1 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.015 1.81 . . . . 0.0 111.966 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.91 -20.48 15.36 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.028 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -30.12 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.929 0.395 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -53.97 17.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.712 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -62.43 -26.83 68.71 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.093 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -44.7 62.05 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB2' HG21 ' C' ' 604' ' ' VAL . 91.0 mt -73.65 -31.24 63.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.995 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.491 ' N ' HG21 ' C' ' 604' ' ' VAL . 6.3 tt0 -62.32 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.644 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.52 87.53 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.353 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.439 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 48.2 t80 -71.03 -48.44 52.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.956 0.408 . . . . 0.0 110.978 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 20' ' ' VAL . 4.6 m -56.26 -59.81 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.375 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.23 -28.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.575 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.4 -34.77 63.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.709 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -66.13 -32.5 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -75.35 -51.34 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.023 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -74.97 -22.65 58.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -93.84 -39.23 10.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.022 0.439 . . . . 0.0 110.734 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 58.39 75.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.55 163.68 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.084 2.522 . . . . 0.0 112.277 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.02 -30.8 2.04 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.526 2.151 . . . . 0.0 113.2 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -132.56 147.43 52.35 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.328 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -87.92 -39.72 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.457 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 30' ' ' GLU . 11.5 p -62.51 -42.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 29' ' ' VAL . 36.4 tt0 -74.47 -42.89 58.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.113 0.482 . . . . 0.0 110.163 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.48 -25.35 64.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.623 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.42 -49.38 42.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.758 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG21 HG22 ' B' ' 37' ' ' THR . 9.5 p -72.24 -29.21 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -78.89 -39.65 34.46 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.488 ' HD1' HG12 ' B' ' 29' ' ' VAL . 6.2 m-85 -76.23 -51.45 12.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -52.61 -45.02 66.39 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.796 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -56.57 -51.39 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.549 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HG ' HG11 ' B' ' 29' ' ' VAL . 13.8 tp -57.86 -55.76 30.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo . . . . . 0 CA--C 1.529 0.273 0 N-CA-C 113.031 0.358 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.86 36.4 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.539 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.58 ' O ' HD23 ' B' ' 9' ' ' LEU . 7.4 tt -65.0 -39.44 93.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.774 -0.25 . . . . 0.0 111.467 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -52.97 -47.27 68.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.66 -28.13 67.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -55.67 15.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.6 -33.96 72.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -49.27 64.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.55 -36.02 52.99 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.606 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -80.42 -51.23 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.2 m -54.03 -49.91 67.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.901 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' C' ' 597' ' ' ALA . 29.0 m -48.86 -33.52 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.88 0.371 . . . . 0.0 111.342 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -76.92 -32.05 57.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.23 -52.17 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.52 -37.42 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.747 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.519 ' HB3' HD12 ' C' ' 593' ' ' ILE . 0.0 OUTLIER -85.57 -24.39 27.24 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -104.48 -37.61 7.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.653 0.263 . . . . 0.0 111.637 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 57.63 84.22 0.21 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -87.81 171.59 5.88 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.109 2.539 . . . . 0.0 112.634 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.1 -33.52 9.41 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.466 2.11 . . . . 0.0 111.979 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.478 ' OD1' HG22 ' B' ' 29' ' ' VAL . 3.8 t0 -132.65 169.49 16.57 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.88 -40.87 6.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.002 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.497 HG11 ' HG ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -72.6 -40.3 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.51 -34.5 70.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.67 -28.98 61.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.972 0.415 . . . . 0.0 110.344 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.8 -49.7 13.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.406 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.776 ' O ' HG23 ' B' ' 37' ' ' THR . 14.4 m -50.86 -47.7 29.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.409 ' N ' HG23 ' B' ' 33' ' ' VAL . 50.1 mt-10 -65.91 -33.01 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -69.92 -44.51 69.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.673 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -77.75 -27.62 50.47 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.776 HG23 ' O ' ' B' ' 33' ' ' VAL . 74.0 p -72.9 -35.65 67.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.774 0.321 . . . . 0.0 110.708 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -69.05 -35.74 76.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.25 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.89 -55.83 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.03 -179.719 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.97 -27.76 2.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.006 0.431 . . . . 0.0 111.907 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 593' ' ' ILE . . . . . 0.519 HD12 ' HB3' ' B' ' 22' ' ' ARG . 14.1 mm -68.38 -34.27 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.255 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -81.21 -44.68 17.44 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -58.19 -45.76 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.97 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.54 -57.9 5.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 597' ' ' ALA . . . . . 0.421 ' HB3' HG12 ' B' ' 18' ' ' VAL . . . -48.52 -30.4 5.2 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.09 -35.39 80.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.92 -44.01 94.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.384 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.28 67.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.41 -42.64 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -65.33 -36.91 85.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.782 0.325 . . . . 0.0 110.298 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.74 -57.58 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.298 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 13' ' ' LEU . 9.1 p -60.56 -27.42 40.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -47.01 29.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -59.17 2.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.71 6.58 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 10.7 ptp -64.77 -30.95 71.97 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -39.12 77.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.48 -26.05 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.431 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -40.95 12.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.941 179.735 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--O 1.23 0.044 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.5 mm -38.15 98.46 0.16 Allowed Pre-proline 0 N--CA 1.468 0.437 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.275 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.76 109.55 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.368 2.045 . . . . 0.0 112.508 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.71 153.88 1.18 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.36 2.04 . . . . 0.0 112.617 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.38 -22.49 12.79 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.131 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.26 -35.07 73.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.907 0.384 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' HG23 ' C' ' 604' ' ' VAL . 0.6 OUTLIER -65.73 -50.19 65.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.64 -33.75 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -47.86 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 111.663 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.174 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.815 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -60.09 -44.51 94.76 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.97 -45.05 72.31 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.383 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.0 t80 -71.88 -49.77 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 110.273 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -55.38 -59.49 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.331 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 14' ' ' GLN . 34.9 m -55.55 -29.81 25.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.575 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -79.07 -49.23 12.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 16' ' ' TYR . 77.2 t -49.22 -41.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.229 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.81 -42.63 60.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -68.67 -23.31 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -111.41 -38.09 5.07 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 55.91 82.92 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.632 0.253 . . . . 0.0 110.359 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -89.94 170.6 4.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.121 2.547 . . . . 0.0 112.792 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.98 -33.51 6.04 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.413 2.076 . . . . 0.0 111.962 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -132.81 139.52 47.54 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.17 -47.47 43.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.723 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -55.56 -54.24 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.42 -50.14 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.75 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.73 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.4 -43.62 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.419 HG13 HG22 ' B' ' 37' ' ' THR . 94.8 t -65.61 -59.64 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -31.95 16.62 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.078 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.55 -54.39 6.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 9.9 m-85 -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.575 0.226 . . . . 0.0 111.426 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -70.68 -51.43 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -66.63 -29.46 69.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.08 -56.04 24.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.518 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.092 0.472 . . . . 0.0 110.516 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo . . . . . 0 CA--C 1.529 0.251 0 CA-C-O 120.855 0.273 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.76 -28.57 11.99 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.616 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.37 -44.18 72.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.527 0.203 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.6 m -51.21 -41.4 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 111.212 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.89 -48.84 64.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.93 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.76 -55.85 14.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.461 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.47 -38.3 83.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.153 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.594 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 9.0 tt0 -62.2 -40.12 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.37 -31.41 62.77 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.815 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.674 ' O ' HG23 ' B' ' 20' ' ' VAL . 68.3 t80 -79.67 -50.33 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 111.185 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.814 HG21 ' HB3' ' C' ' 600' ' ' ALA . 1.1 p -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -46.0 -41.66 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.408 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 13.4 pt-20 -79.37 -31.81 43.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.674 HG23 ' O ' ' B' ' 16' ' ' TYR . 67.8 t -63.61 -56.77 14.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.263 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -43.33 64.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.065 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -70.75 -23.89 62.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -106.21 -49.3 3.39 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 65.91 82.59 0.2 Allowed Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.436 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.27 168.8 11.57 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.63 2.22 . . . . 0.0 112.616 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.49 -32.71 7.61 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.421 2.081 . . . . 0.0 112.14 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.53 136.36 46.58 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.993 0.425 . . . . 0.0 110.948 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.2 mt -84.14 -27.88 27.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.213 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.72 -41.59 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.049 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.81 -56.12 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.48 -25.24 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.709 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.438 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.03 -38.11 45.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -61.57 -40.35 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.86 -46.75 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.408 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 83.5 t80 -57.18 -52.05 66.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -68.79 -49.68 56.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.629 HG23 ' O ' ' B' ' 33' ' ' VAL . 66.7 p -57.05 -40.57 77.04 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -54.94 -46.25 74.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.313 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.3 mt -72.29 -31.32 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.262 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.376 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.3 -26.72 1.32 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.18 -28.23 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.594 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 46.4 t-105 -80.03 -45.71 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.119 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -56.9 -45.1 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.38 -55.84 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -37.86 19.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 111.2 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.27 -30.72 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.375 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -66.69 -45.2 79.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.297 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.814 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -55.83 -30.76 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.519 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 601' ' ' VAL . . . . . 0.47 HG12 ' CD ' ' C' ' 605' ' ' LYS . 30.5 t -83.28 -45.16 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -66.06 -38.42 88.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.879 0.371 . . . . 0.0 110.173 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.27 -57.19 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 10' ' ' THR . 7.1 p -59.88 -26.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.967 0.413 . . . . 0.0 112.062 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 605' ' ' LYS . . . . . 0.47 ' CD ' HG12 ' C' ' 601' ' ' VAL . 0.3 OUTLIER -75.12 -48.28 24.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.43 76.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.394 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 607' ' ' GLN . . . . . 0.47 ' O ' ' OG1' ' C' ' 610' ' ' THR . 17.0 pt20 -79.25 -48.18 14.62 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.88 -37.17 5.98 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.804 -0.56 . . . . 0.0 111.659 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 609' ' ' MET . . . . . 0.652 ' HA ' HD12 ' C' ' 612' ' ' LEU . 17.7 ptp -72.05 -32.28 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 610' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.6 OUTLIER -65.61 -34.28 77.86 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -23.17 66.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' C' ' 609' ' ' MET . 7.0 mt -89.08 -43.76 10.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.394 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.995 179.884 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 111.201 0.074 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.0 mm -45.78 102.59 0.31 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.847 -0.161 . . . . 0.0 110.608 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.73 164.16 1.63 Allowed 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.941 1.761 . . . . 0.0 112.481 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -92.5 157.28 2.99 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.828 2.352 . . . . 0.0 111.948 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -19.26 17.38 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.932 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.48 -47.51 72.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -50.79 72.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.526 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -36.9 77.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.309 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 12' ' ' LEU . 5.1 tp -74.36 -44.97 49.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 111.46 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' C' ' 604' ' ' VAL . 9.0 mp -72.39 -40.3 67.33 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -38.84 83.58 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.721 0.296 . . . . 0.0 110.507 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.87 -45.62 91.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.054 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -69.63 -48.51 59.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.9 m -55.81 -60.42 3.49 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.228 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.74 -26.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.695 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.6 -24.61 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.868 0.366 . . . . 0.0 110.742 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.86 -38.61 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.25 -35.72 71.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.697 0.284 . . . . 0.0 111.311 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -75.31 -29.99 60.2 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -106.99 -52.91 2.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.982 0.42 . . . . 0.0 110.898 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 58.3 57.71 6.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.96 170.16 20.74 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.339 2.026 . . . . 0.0 111.152 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.67 -7.95 22.19 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 122.383 2.055 . . . . 0.0 115.567 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -133.21 118.9 19.17 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.34 0.973 . . . . 0.0 112.003 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 mt -81.97 -39.29 23.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.456 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -37.31 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -70.97 -48.24 54.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.34 -54.68 10.47 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.336 0.589 . . . . 0.0 110.836 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB1' ' CG ' ' B' ' 36' ' ' PHE . . . -46.74 -46.61 20.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 37' ' ' THR . 95.4 t -68.15 -60.15 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.29 -32.02 23.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.13 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -78.78 -57.9 3.52 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -63.59 -28.22 69.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' CG2' ' B' ' 33' ' ' VAL . 40.8 p -71.6 -55.21 8.21 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.792 0.33 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -54.51 -52.01 63.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tt -48.48 -56.39 8.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.831 179.481 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo . . . . . 0 CA--C 1.53 0.314 0 N-CA-C 112.962 0.332 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.35 -31.08 8.88 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.116 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.407 HD13 ' C ' ' B' ' 9' ' ' LEU . 3.1 tm? -53.96 -42.99 69.53 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.721 -0.282 . . . . 0.0 110.806 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.4 m -52.86 -41.78 64.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.398 . . . . 0.0 111.04 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.74 -41.46 87.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.2 mm? -56.15 -53.25 59.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.64 0.257 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.72 -43.32 94.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 109.888 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.569 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 3.0 tt0 -62.57 -45.08 94.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.23 61.65 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.209 -0.52 . . . . 0.0 113.052 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -79.42 -46.64 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.489 HG21 ' HB3' ' C' ' 600' ' ' ALA . 5.8 m -54.39 -40.91 68.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -60.67 -28.01 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.806 0.336 . . . . 0.0 111.578 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.62 -47.43 17.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.256 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' B' ' 24' ' ' GLN . 38.1 t -50.75 -47.74 28.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.125 0.488 . . . . 0.0 110.17 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.02 -40.79 96.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.976 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -77.01 -28.18 54.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -107.96 -47.11 3.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 20' ' ' VAL . 26.9 mm-40 66.38 66.05 0.76 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.57 159.92 47.77 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.804 2.336 . . . . 0.0 112.447 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.77 -40.35 55.13 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.142 1.894 . . . . 0.0 111.906 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -132.6 130.92 40.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.36 -51.17 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.619 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -48.72 -33.17 4.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 121.052 0.453 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.47 -55.82 5.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.335 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.38 -25.64 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.92 23.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -55.0 -33.82 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.91 0.386 . . . . 0.0 111.06 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -78.29 -45.39 22.86 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.13 -48.03 81.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.476 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 44.0 m-85 -67.15 -39.03 86.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.528 0.204 . . . . 0.0 111.459 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.595 HG23 ' O ' ' B' ' 33' ' ' VAL . 32.7 p -65.75 -33.85 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.946 0.403 . . . . 0.0 110.486 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -59.87 -39.93 86.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.866 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.47 -55.94 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.555 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.841 179.73 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -48.55 -32.33 7.86 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.69 -27.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.569 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 56.5 t-105 -79.38 -45.81 18.8 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.723 0.297 . . . . 0.0 111.355 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -57.03 -46.22 82.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -67.53 -59.87 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.2 -36.08 18.84 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -38.9 89.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -61.03 -43.5 98.79 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.489 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.91 -43.71 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 601' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' C' ' 605' ' ' LYS . 15.2 t -72.47 -41.7 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.89 -45.21 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.674 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.96 -54.33 32.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 13' ' ' LEU . 2.5 p -67.65 -27.16 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 605' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' C' ' 601' ' ' VAL . 0.0 OUTLIER -75.29 -52.33 11.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.944 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -24.06 62.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.936 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.47 -50.76 11.07 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.24 -29.3 2.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.331 0.514 . . . . 0.0 112.324 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.56 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.315 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 3.1 m -66.02 -40.26 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -62.39 -26.03 68.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.308 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.05 -26.21 21.53 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.78 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.552 -179.771 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.553 HD13 HD11 ' B' ' 21' ' ' LEU . 24.8 mm -46.84 103.71 0.37 Allowed Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.413 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -53.9 117.34 3.76 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.242 1.961 . . . . 0.0 112.647 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -47.34 146.22 7.33 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.746 1.631 . . . . 0.0 111.814 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.67 -24.3 10.8 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.223 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.22 -53.83 44.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 117.051 0.426 . . . . 0.0 111.049 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -40.16 65.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.14 -34.83 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.82 -44.51 69.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.49 -27.28 64.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 18' ' ' VAL . 2.1 tt0 -65.72 -43.88 87.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.13 70.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.806 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -68.31 -46.15 71.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -56.74 -59.8 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 14' ' ' GLN . 33.3 m -54.86 -34.47 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.53 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.98 -31.76 68.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.52 -38.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.761 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.4 mt -73.48 -30.23 63.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -85.28 -25.73 27.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -112.03 -43.66 3.55 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 63.83 75.01 0.4 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.698 0.285 . . . . 0.0 110.486 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.37 166.66 27.15 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.554 2.169 . . . . 0.0 112.379 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.95 -35.04 12.79 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.415 2.077 . . . . 0.0 112.421 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -132.82 145.37 50.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 111.149 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -82.7 -48.01 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.32 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 30' ' ' GLU . 12.7 p -58.4 -44.98 89.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 29' ' ' VAL . 25.1 tt0 -63.99 -47.94 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.59 -29.5 70.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.749 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.07 85.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.98 -59.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.67 -34.2 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.852 0.358 . . . . 0.0 110.745 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -78.19 -53.62 7.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.709 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -67.12 -48.98 66.44 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 p -52.83 -54.73 30.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.89 0.376 . . . . 0.0 110.813 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -34.28 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.691 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.56 -56.17 25.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.358 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.027 0.441 . . . . 0.0 111.005 179.379 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 N--CA 1.461 -0.415 0 CA-C-O 120.704 0.21 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.83 -36.91 3.29 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.964 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.447 HD23 ' O ' ' B' ' 9' ' ' LEU . 2.9 tt -46.61 -49.06 19.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.428 HG23 HG11 ' C' ' 601' ' ' VAL . 25.9 m -49.92 -38.76 37.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 110.116 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.21 -36.89 85.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.333 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.79 -55.24 15.8 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.683 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.17 -34.39 73.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.354 0.597 . . . . 0.0 109.577 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.456 ' HB2' HG21 ' C' ' 601' ' ' VAL . 0.6 OUTLIER -72.9 -45.73 56.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.204 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.18 -28.49 54.42 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.47 ' O ' HG23 ' B' ' 20' ' ' VAL . 48.1 t80 -79.86 -45.83 17.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.366 . . . . 0.0 111.273 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.638 HG21 ' HB3' ' C' ' 600' ' ' ALA . 6.2 p -54.31 -55.45 28.19 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -46.06 -34.8 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.889 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -79.48 -48.56 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.439 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 16' ' ' TYR . 82.7 t -54.23 -53.77 26.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.553 HD11 HD13 ' A' ' 5' ' ' ILE . 2.1 mm? -56.11 -42.99 77.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.123 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.402 ' HB2' HD12 ' C' ' 593' ' ' ILE . 2.4 tmm_? -85.45 -22.98 28.04 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -95.08 -38.69 10.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 0.0 111.059 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 55.61 80.32 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.704 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -85.03 163.92 11.59 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.739 2.293 . . . . 0.0 112.713 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.43 -37.65 4.12 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.335 2.023 . . . . 0.0 111.849 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -132.6 136.61 46.64 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 mt -75.74 -42.49 50.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.11 -40.86 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -75.69 -40.43 55.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -71.64 -29.02 64.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.86 -52.6 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.665 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.648 ' O ' ' OG1' ' B' ' 37' ' ' THR . 6.1 p -51.73 -50.28 32.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.432 ' N ' HG13 ' B' ' 33' ' ' VAL . 82.1 mt-10 -59.63 -39.42 84.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -62.48 -48.53 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -75.79 -46.82 28.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.648 ' OG1' ' O ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER -62.16 -26.37 68.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 111.194 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -39.31 37.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.202 0.525 . . . . 0.0 109.872 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.89 -49.07 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.344 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.744 -179.55 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.4 -28.69 3.39 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 593' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' B' ' 22' ' ' ARG . 35.2 mm -74.68 -28.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.466 0.174 . . . . 0.0 111.459 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -79.96 -47.26 15.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -55.51 -43.07 75.34 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.17 -59.58 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.31 -42.92 42.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -30.77 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.009 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -40.62 90.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.638 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -56.77 -31.97 65.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.693 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 601' ' ' VAL . . . . . 0.456 HG21 ' HB2' ' B' ' 14' ' ' GLN . 15.8 t -82.98 -42.88 18.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 109.979 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -75.64 -56.23 4.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.452 HG12 ' O ' ' C' ' 600' ' ' ALA . 9.7 p -63.63 -27.81 43.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -44.1 43.35 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.248 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -63.19 -26.5 68.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -55.62 5.09 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.99 -32.81 2.97 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -64.16 -31.48 72.69 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.353 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 94.0 m -66.84 -37.63 84.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -58.92 -25.68 63.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.271 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.37 -56.28 3.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.173 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.712 -179.492 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' HG3' ' C' ' 596' ' ' LYS . 1.0 OUTLIER -47.72 108.58 0.92 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.58 110.31 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.549 2.166 . . . . 0.0 112.83 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.33 151.99 2.54 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.131 1.888 . . . . 0.0 111.847 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -21.94 4.0 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.024 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.09 -43.62 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.988 0.394 . . . . 0.0 111.343 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.91 -41.99 64.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.06 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.63 -34.6 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.37 -45.18 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' HB3' HG11 ' C' ' 604' ' ' VAL . 7.3 mp -70.15 -32.7 70.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.603 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 18' ' ' VAL . 2.8 tt0 -58.24 -45.12 88.33 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -44.72 68.08 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.138 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -72.49 -47.07 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -57.33 -59.87 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 14' ' ' GLN . 27.0 m -49.84 -26.12 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.2 -34.81 59.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -36.65 78.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.443 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.79 -40.91 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.188 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -82.17 -23.03 35.76 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.87 -52.23 2.79 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 66.56 87.63 0.12 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.235 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -93.53 164.5 2.34 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.393 2.729 . . . . 0.0 112.954 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -82.1 -26.32 2.94 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.572 2.182 . . . . 0.0 112.562 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.39 137.68 47.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.021 0.439 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.19 -51.3 10.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.265 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 30' ' ' GLU . 9.3 p -56.83 -41.79 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.595 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 29' ' ' VAL . 56.8 mt-10 -68.79 -49.38 59.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 0.0 110.752 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -63.05 -25.21 68.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.748 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.07 -44.4 26.41 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 37' ' ' THR . 2.4 p -72.14 -34.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.87 -34.34 77.57 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.136 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -78.88 -46.85 17.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.73 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.67 -48.93 67.79 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.466 HG22 ' CG1' ' B' ' 33' ' ' VAL . 40.8 p -53.0 -55.12 26.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -46.69 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.36 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tt -48.48 -56.25 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.701 0.286 . . . . 0.0 111.126 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo . . . . . 0 CA--C 1.529 0.267 0 N-CA-C 113.029 0.357 . . . . 0.0 113.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.66 -29.54 2.12 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.64 -40.12 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.444 0.164 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.418 HG23 ' HE3' ' C' ' 605' ' ' LYS . 15.2 m -52.13 -44.01 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.599 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.23 -39.78 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.548 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.47 -57.59 12.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.931 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.32 -34.55 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.017 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.548 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 1.3 tm0? -70.65 -33.34 70.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.245 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.426 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -68.03 -32.44 76.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.307 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -80.25 -45.76 17.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.794 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.603 HG22 HD23 ' B' ' 21' ' ' LEU . 2.1 m -59.16 -32.37 69.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 15' ' ' GLY . 3.4 m -59.6 -25.95 33.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -77.99 -53.82 6.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' B' ' 17' ' ' THR . 30.0 m -55.95 -40.43 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 121.044 0.45 . . . . 0.0 110.405 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.603 HD23 HG22 ' B' ' 17' ' ' THR . 2.4 mm? -59.02 -40.88 86.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.351 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -72.18 -44.27 63.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -105.22 -46.02 4.35 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 20' ' ' VAL . 5.6 mm-40 73.46 73.47 0.23 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.094 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.73 170.57 9.77 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.545 2.163 . . . . 0.0 112.839 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.05 -30.01 7.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.684 2.256 . . . . 0.0 112.522 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.4 131.73 42.1 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.116 0.484 . . . . 0.0 111.126 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.28 -48.55 15.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.756 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.418 ' O ' HG23 ' B' ' 33' ' ' VAL . 12.3 p -59.16 -41.03 82.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -66.31 -56.33 11.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.94 0.4 . . . . 0.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.92 -25.08 56.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.989 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.78 34.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.488 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -57.37 -59.44 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.932 -179.339 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -52.93 -40.33 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.624 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -63.01 -49.59 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.53 -25.37 65.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.5 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.488 HG23 ' O ' ' B' ' 33' ' ' VAL . 71.8 p -77.08 -40.75 44.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.055 0.455 . . . . 0.0 110.207 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -57.17 -43.41 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.28 -49.52 73.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.713 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.751 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.53 -30.63 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.76 -27.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.548 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 61.7 t-105 -79.47 -43.8 22.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.124 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -58.6 -45.03 90.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 596' ' ' LYS . . . . . 0.401 ' HG3' HD12 ' A' ' 5' ' ' ILE . 9.2 tptt -63.85 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -33.47 10.22 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -65.27 -34.09 77.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.678 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -45.79 74.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.5 -33.61 55.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 601' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 65.7 t -83.16 -41.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.93 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.905 0.383 . . . . 0.0 110.16 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.91 -55.82 12.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 13' ' ' LEU . 11.3 p -61.98 -26.41 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 605' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 2.1 ttmm -71.59 -51.84 21.22 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.477 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -27.04 67.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.592 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -79.33 -55.5 5.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.238 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.8 -34.92 9.24 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.819 -0.551 . . . . 0.0 111.986 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 6.1 ptm -65.74 -33.75 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -39.76 77.4 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.22 -26.61 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.392 0.615 . . . . 0.0 110.025 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -37.5 14.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.722 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.148 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 . . . . . 0 N--CA 1.46 0.05 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.3 mm -50.18 105.94 0.58 Allowed Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.764 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -52.7 152.15 17.6 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.233 1.955 . . . . 0.0 112.502 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.45 149.83 16.88 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.443 2.095 . . . . 0.0 111.95 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.67 -21.71 7.29 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.37 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -46.48 81.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.773 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -57.68 -41.56 81.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.38 -30.93 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.517 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.68 62.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 111.295 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.62 -30.15 66.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.566 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.7 tt0 -64.39 -42.96 95.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.4 -45.49 75.47 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.877 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.827 ' O ' HG23 ' A' ' 20' ' ' VAL . 50.0 t80 -70.47 -48.53 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 111.034 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -52.91 -59.93 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 14' ' ' GLN . 26.9 m -54.2 -30.85 21.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -78.48 -42.71 28.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.532 0.206 . . . . 0.0 111.262 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 16' ' ' TYR . 25.4 t -54.22 -41.62 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.27 -37.48 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.235 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -60.24 -34.08 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -112.49 -27.54 8.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 55.06 82.88 0.23 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.491 0.186 . . . . 0.0 110.578 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.29 169.7 13.97 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.586 2.19 . . . . 0.0 112.59 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.35 -31.64 8.97 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.53 2.153 . . . . 0.0 112.269 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -132.62 141.35 48.62 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.14 0.495 . . . . 0.0 110.944 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mt -86.11 -30.41 22.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG22 ' HG2' ' B' ' 40' ' ' ARG . 7.4 p -72.51 -41.59 63.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.49 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 29' ' ' VAL . 10.5 tm-20 -70.42 -56.08 7.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.733 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.75 -25.44 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.697 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.19 -41.86 69.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.35 -59.22 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.03 -33.63 11.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.821 0.343 . . . . 0.0 111.309 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -78.51 -48.55 15.08 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.77 -48.48 37.94 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -52.89 -51.53 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 111.109 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -54.38 -53.05 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -56.02 9.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.491 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HG2' ' CG1' ' B' ' 29' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.86 0.362 . . . . 0.0 111.093 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo . . . . . 0 CA--C 1.528 0.209 0 CA-C-O 120.753 0.231 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.25 2.16 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.416 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.26 -46.73 36.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.58 0.229 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 m -54.53 -46.63 73.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.414 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.0 -37.63 88.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.463 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.1 mm? -62.47 -48.46 79.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.27 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.12 -28.37 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.93 -43.24 75.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.32 -31.42 69.79 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.217 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -79.39 -49.23 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.766 0.317 . . . . 0.0 111.387 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.483 HG21 ' HB3' ' C' ' 600' ' ' ALA . 2.7 p -52.23 -58.45 6.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.695 0.283 . . . . 0.0 111.661 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.77 -40.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.412 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 15.5 pt-20 -79.05 -33.11 45.0 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.041 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' B' ' 24' ' ' GLN . 24.9 t -62.14 -51.96 66.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.059 0.457 . . . . 0.0 110.005 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.12 -50.4 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -68.94 -23.47 64.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.23 -45.33 3.95 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 20' ' ' VAL . 53.1 mm-40 63.71 86.51 0.14 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.133 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -86.22 166.48 9.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.74 2.293 . . . . 0.0 112.891 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.41 -38.33 4.74 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.331 2.02 . . . . 0.0 111.471 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -132.54 131.9 42.03 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.337 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.69 -23.33 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.57 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.544 ' CG1' ' HG2' ' A' ' 40' ' ' ARG . 5.2 t -70.36 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 111.366 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.09 -44.35 80.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.721 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -55.86 -27.35 51.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.738 0.304 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.77 -34.69 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.188 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.35 -56.8 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 110.528 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -57.47 -33.73 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.412 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 78.4 t80 -71.82 -50.23 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -71.07 -24.81 62.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -82.3 -34.94 28.43 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.88 71.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.118 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -47.25 20.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.255 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.427 ' HG2' HG22 ' A' ' 29' ' ' VAL . 4.4 mmm180 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -45.4 -29.47 1.09 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.91 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.604 0.24 . . . . 0.0 110.749 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.533 ' CD2' ' OE2' ' C' ' 598' ' ' GLU . 51.1 t-105 -79.59 -50.53 10.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.738 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.44 -44.05 75.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.816 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -54.88 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.78 -37.75 19.96 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.008 -0.432 . . . . 0.0 111.5 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 598' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -67.22 -34.84 78.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.126 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.483 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -56.58 -28.58 60.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 12.9 t -83.29 -44.86 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.923 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -64.91 -33.75 76.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -55.99 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.481 HG12 ' O ' ' C' ' 600' ' ' ALA . 7.5 p -63.35 -29.32 46.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -44.2 41.9 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -60.55 -26.66 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -54.08 6.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.98 -36.9 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.993 -0.442 . . . . 0.0 112.181 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 609' ' ' MET . . . . . 0.558 ' HA ' HD12 ' C' ' 612' ' ' LEU . 14.0 ptp -67.8 -35.53 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.71 78.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.27 -27.82 69.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.717 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 612' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' C' ' 609' ' ' MET . 10.0 mt -84.29 -31.59 24.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.249 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.939 179.454 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -45.57 106.13 0.53 Allowed Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.901 179.444 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.17 119.64 5.68 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.355 2.037 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.98 147.39 3.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.955 1.77 . . . . 0.0 111.802 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.67 24.96 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.804 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.437 HD21 HG23 ' B' ' 17' ' ' THR . 0.5 OUTLIER -60.23 -37.71 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -65.2 -47.31 77.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.57 -29.57 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.69 -39.99 66.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.7 0.286 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.0 mt -75.94 -29.4 58.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.752 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -47.15 78.16 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.379 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.64 -42.71 67.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.749 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.832 ' O ' HG23 ' A' ' 20' ' ' VAL . 45.4 t80 -73.45 -48.04 36.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.7 m -51.37 -59.74 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.766 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 p -57.12 -31.78 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.862 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' OE1' ' CZ ' ' A' ' 31' ' ' PHE . 3.7 tt0 -73.82 -45.06 53.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 16' ' ' TYR . 41.6 t -53.84 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.49 -34.9 60.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.822 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -68.79 -34.51 75.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -104.14 -29.61 10.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 56.97 82.55 0.24 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.765 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -84.99 162.62 11.74 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.59 -27.32 6.3 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.464 2.109 . . . . 0.0 112.062 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -132.43 137.35 47.26 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -83.25 -37.18 23.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.66 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 30' ' ' GLU . 9.0 p -65.4 -42.13 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.534 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 29' ' ' VAL . 7.8 tp10 -73.31 -50.16 23.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.06 0.457 . . . . 0.0 110.776 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' CZ ' ' OE1' ' A' ' 19' ' ' GLU . 43.1 t80 -59.25 -25.05 63.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.376 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -74.94 -44.59 47.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -28.78 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.18 -33.6 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -78.76 -38.9 37.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.78 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.9 -52.63 9.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.4 p -52.76 -55.07 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.263 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -49.96 -52.04 36.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.36 -55.51 10.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.347 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.832 179.377 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo . . . . . 0 N--CA 1.458 -0.564 0 N-CA-C 112.732 0.243 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.62 6.66 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.966 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -47.71 -50.21 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.512 0.196 . . . . 0.0 111.192 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.9 m -54.41 -46.35 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.365 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.45 -41.05 96.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.117 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.0 mm? -60.42 -57.44 12.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.517 0.199 . . . . 0.0 111.292 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.46 -32.94 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.72 -45.17 60.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.888 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' HG12 ' B' ' 18' ' ' VAL . . . -56.16 -35.72 65.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.784 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 63.0 t80 -79.87 -45.25 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.437 HG23 HD21 ' A' ' 9' ' ' LEU . 89.0 m -58.14 -37.78 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.182 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 15' ' ' GLY . 0.3 OUTLIER -62.47 -29.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.84 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.11 -43.37 24.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.36 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' GLN . 21.5 t -57.8 -41.09 78.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.228 0.537 . . . . 0.0 110.29 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' C' ' 597' ' ' ALA . 11.3 mt -61.15 -49.49 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.384 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -67.9 -27.81 66.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -109.57 -51.82 2.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 20' ' ' VAL . 44.9 mt-30 66.05 86.5 0.13 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.288 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' B' ' 20' ' ' VAL . 63.6 Cg_endo -86.32 173.7 6.46 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.933 2.422 . . . . 0.0 112.549 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.42 -27.58 11.07 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.429 2.086 . . . . 0.0 112.407 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.5 138.59 47.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.151 0.5 . . . . 0.0 110.831 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' B' ' 28' ' ' LEU . 1.3 mm? -83.66 -38.42 21.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.235 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.38 -39.5 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.654 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -70.88 -56.45 6.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.84 0.352 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -56.77 -25.02 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.416 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -74.22 -41.67 60.99 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.502 ' O ' HG23 ' B' ' 37' ' ' THR . 53.3 t -60.27 -59.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -50.9 -33.11 22.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -68.73 -49.73 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.22 -36.04 69.03 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.439 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.502 HG23 ' O ' ' B' ' 33' ' ' VAL . 58.7 p -63.71 -43.53 96.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.228 0.537 . . . . 0.0 109.972 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -40.6 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.25 -53.47 10.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.588 -179.426 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -47.58 -26.76 1.56 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.48 -28.64 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -80.12 -46.57 16.21 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.776 0.322 . . . . 0.0 111.585 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -57.03 -43.78 82.27 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -66.73 -59.6 3.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 597' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' B' ' 21' ' ' LEU . . . -49.14 -36.34 18.88 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.65 -34.39 77.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.556 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.13 -46.58 73.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.558 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.76 43.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.5 t -74.42 -37.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.7 -39.46 94.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.63 -56.49 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -26.87 38.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -75.05 -47.79 27.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.139 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -62.49 -23.96 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -79.34 -58.95 2.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.438 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.92 -31.33 2.13 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 14.5 ptp -72.45 -33.14 66.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.655 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -48.49 71.86 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.0 -20.39 57.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.117 0.484 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.21 -44.07 10.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.227 -179.753 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.705 HD13 HD11 ' B' ' 21' ' ' LEU . 39.8 mm -49.58 108.01 0.9 Allowed Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -52.39 163.91 1.53 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.111 1.874 . . . . 0.0 112.873 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -93.18 149.08 2.49 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.959 2.44 . . . . 0.0 111.376 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.17 17.61 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.59 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.788 HD12 HD11 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -49.28 -60.46 2.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 111.147 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -48.62 -45.74 38.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.687 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.49 -35.76 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.71 -44.05 51.98 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.66 ' HB2' HG21 ' C' ' 604' ' ' VAL . 11.9 mt -71.81 -34.89 69.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.704 0.288 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.535 ' N ' HG21 ' C' ' 604' ' ' VAL . 0.2 OUTLIER -59.89 -41.34 91.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.105 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.42 -45.6 83.2 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.325 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -70.19 -47.82 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.809 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -55.41 -57.97 9.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.099 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.97 -33.39 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.499 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.72 -42.84 39.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.908 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 24' ' ' GLN . 15.2 t -54.95 -39.33 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.631 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.36 -42.36 59.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -66.19 -23.2 66.41 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -112.87 -44.83 3.25 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . 29.7 mm-40 63.56 79.13 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.47 172.38 9.3 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.824 2.35 . . . . 0.0 112.603 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -74.71 -31.64 6.55 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.5 2.133 . . . . 0.0 112.413 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.76 132.18 41.97 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.036 0.446 . . . . 0.0 110.97 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -76.95 -55.95 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.409 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -49.18 -38.59 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.683 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -68.51 -56.13 9.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.488 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.67 -25.13 16.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.826 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.475 ' CB ' ' CE1' ' B' ' 36' ' ' PHE . . . -73.11 -45.37 57.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -68.2 -35.53 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.142 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.91 -36.56 82.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.931 0.396 . . . . 0.0 110.355 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -79.02 -48.96 13.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -68.91 -48.17 63.96 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 33' ' ' VAL . 68.4 p -54.58 -48.58 71.93 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.043 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -50.0 -55.86 12.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -44.39 64.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo . . . . . 0 N--CA 1.459 -0.504 0 CA-C-O 120.843 0.268 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.8 -26.68 16.9 Favored Glycine 0 C--N 1.335 0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.67 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.408 HD11 HG11 ' A' ' 20' ' ' VAL . 1.4 tt -52.72 -45.81 67.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.472 0.177 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.551 HG23 ' HE2' ' C' ' 605' ' ' LYS . 1.1 m -54.54 -49.14 70.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.133 0.492 . . . . 0.0 110.673 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.41 -29.58 66.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.442 HD12 ' HB3' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -68.61 -57.7 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.08 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.487 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 31.5 mt-30 -70.49 -39.76 74.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.03 82.86 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.009 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -79.5 -46.09 18.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.637 HG21 ' HB3' ' C' ' 600' ' ' ALA . 0.5 OUTLIER -55.7 -53.84 51.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.401 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.03 -31.05 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.491 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -53.3 7.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.548 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -56.56 -43.01 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.291 0.567 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.705 HD11 HD13 ' A' ' 5' ' ' ILE . 3.5 mm? -56.9 -49.63 74.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.647 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.425 ' HB3' HD12 ' C' ' 593' ' ' ILE . 21.1 ptt85 -85.67 -22.83 27.7 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -96.93 -47.62 5.75 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 111.411 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.66 83.72 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -85.69 171.18 8.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.762 2.308 . . . . 0.0 112.803 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -73.97 -33.29 6.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.596 2.197 . . . . 0.0 112.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -132.8 144.72 50.42 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.041 0.448 . . . . 0.0 110.779 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.788 HD11 HD12 ' A' ' 9' ' ' LEU . 1.8 mm? -82.92 -42.83 17.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.759 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -57.94 -56.57 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.326 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.11 -56.47 20.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -57.24 -27.64 62.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.71 -47.1 19.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.58 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 37' ' ' THR . 78.9 t -59.53 -59.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -52.98 -45.17 67.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.006 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 32' ' ' ALA . 5.0 m-85 -64.18 -42.8 96.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 33' ' ' VAL . 65.4 p -61.64 -41.02 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.909 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -55.77 -44.78 78.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.655 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tt -67.79 -55.91 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.26 179.734 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -46.07 -30.34 1.84 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 593' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' B' ' 22' ' ' ARG . 47.3 mm -75.77 -28.52 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 594' ' ' TRP . . . . . 0.487 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 73.3 t-105 -80.81 -48.03 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -58.68 -42.14 87.83 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.57 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -66.9 -60.48 2.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.09 -34.69 14.39 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.7 -31.73 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -70.21 -45.92 65.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.408 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 600' ' ' ALA . . . . . 0.637 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.71 -32.63 52.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 41.3 t -82.78 -38.01 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.44 -35.56 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -57.0 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 604' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 13' ' ' LEU . 8.9 p -60.29 -26.74 37.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.899 0.381 . . . . 0.0 111.896 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 605' ' ' LYS . . . . . 0.551 ' HE2' HG23 ' B' ' 10' ' ' THR . 18.9 mttm -72.72 -50.06 27.1 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -25.12 68.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.012 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 607' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' C' ' 610' ' ' THR . 50.1 mt-30 -79.97 -57.48 3.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.89 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.884 -0.51 . . . . 0.0 112.341 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -67.19 -33.52 75.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 610' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -70.6 -38.2 73.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.778 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.02 -27.47 69.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.394 0.616 . . . . 0.0 109.863 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.82 -55.67 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.574 -178.731 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.078 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -58.97 -173.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.733 0.302 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 15.4 ptp -139.89 -45.18 0.43 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 168.24 162.91 21.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.436 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 68.0 m -74.27 -7.19 51.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.606 0.241 . . . . 0.0 111.384 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 11.1 tpt -53.0 -26.93 16.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 111.271 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 72.0 p -167.08 120.06 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.988 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -150.91 103.26 3.05 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.561 ' O ' ' O ' ' A' ' 4' ' ' GLN . 31.9 mt -125.2 -54.66 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.473 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.561 ' O ' ' O ' ' A' ' 3' ' ' ILE . 18.1 pt20 38.98 119.01 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.7 mm -46.26 104.65 0.41 Allowed Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.22 154.17 19.41 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.06 1.84 . . . . 0.0 112.465 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.13 156.44 17.39 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.456 2.104 . . . . 0.0 112.211 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.04 -21.57 7.86 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.372 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -29.26 66.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.016 0.408 . . . . 0.0 110.789 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -47.57 69.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.859 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.44 -31.19 70.33 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.52 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.17 -46.17 71.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.636 0.255 . . . . 0.0 111.452 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.699 ' HB2' HG21 ' C' ' 604' ' ' VAL . 63.3 mt -73.43 -32.15 64.23 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.086 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' HG21 ' C' ' 604' ' ' VAL . 0.0 OUTLIER -58.58 -47.23 84.99 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.333 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.51 -48.09 55.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.88 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 49.7 t80 -70.43 -49.12 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.054 0.454 . . . . 0.0 110.635 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.71 ' O ' HD12 ' A' ' 21' ' ' LEU . 9.4 m -57.18 -59.88 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.105 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.12 -29.53 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -77.48 -33.04 54.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.622 0.249 . . . . 0.0 111.419 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.522 HG11 HD13 ' B' ' 9' ' ' LEU . 0.3 OUTLIER -62.34 -39.28 83.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.537 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 17' ' ' THR . 2.9 mp -75.67 -47.57 25.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -50.62 -36.06 33.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.956 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -107.63 -29.39 9.18 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 56.31 71.24 1.23 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.679 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.65 165.25 27.21 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.766 2.31 . . . . 0.0 112.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -88.56 -16.24 2.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.695 2.263 . . . . 0.0 113.694 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -132.28 140.58 48.67 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 121.21 0.529 . . . . 0.0 111.617 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD22 HD12 ' B' ' 9' ' ' LEU . 12.3 mt -92.39 -43.84 9.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.55 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.34 -45.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.12 -55.87 7.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.266 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 66.3 t80 -54.85 -25.6 29.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.409 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -73.32 -52.1 15.12 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.495 HG21 HG22 ' B' ' 37' ' ' THR . 9.0 p -70.29 -29.16 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.61 -38.53 73.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -78.69 -44.34 23.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.13 -51.09 26.96 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.6 p -55.47 -51.99 65.1 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.222 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -53.32 -50.56 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.39 -52.94 19.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.645 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -61.3 -56.42 20.67 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.226 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -50.15 -24.79 2.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.608 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.55 -29.49 1.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.695 0.283 . . . . 0.0 111.548 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 168.59 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 111.213 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.653 179.184 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -169.35 -55.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.704 0.287 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 13.7 ptp -99.12 30.98 3.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 175.61 80.2 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.649 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 3.2 m -171.1 98.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.75 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -2' ' ' MET . . . . . 0.439 ' O ' ' CB ' ' B' ' -1' ' ' SER . 93.1 mmm -143.87 34.53 1.25 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' -1' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' B' ' -2' ' ' MET . 0.9 OUTLIER 86.02 -30.87 0.05 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.18 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 2' ' ' HIS . . . . . 0.587 ' O ' ' HB ' ' B' ' 3' ' ' ILE . 3.4 p80 -130.06 22.31 5.31 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.327 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.587 ' HB ' ' O ' ' B' ' 2' ' ' HIS . 4.0 mm 83.02 -87.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.604 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.441 ' N ' HG22 ' B' ' 3' ' ' ILE . 2.6 pt20 180.0 69.71 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.54 HG23 HD22 ' B' ' 9' ' ' LEU . 2.1 mp -68.7 116.23 38.65 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -46.05 117.86 2.1 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.274 1.983 . . . . 0.0 112.356 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -44.53 139.22 7.2 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.307 2.005 . . . . 0.0 112.779 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.8 15.68 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.54 HD22 HG23 ' B' ' 5' ' ' ILE . 0.9 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.675 0.274 . . . . 0.0 110.663 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -55.56 -47.06 76.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.98 0.419 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -67.26 -39.23 86.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.733 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.24 -51.83 67.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.5 0.19 . . . . 0.0 110.918 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.407 HD13 ' HG ' ' B' ' 9' ' ' LEU . 7.9 mp -63.15 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.544 ' NE2' ' CZ3' ' C' ' 594' ' ' TRP . 2.1 tt0 -68.85 -46.68 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.878 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.72 43.09 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.674 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -80.62 -47.56 13.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 111.302 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -54.7 -47.72 73.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.981 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' CB ' ' C' ' 597' ' ' ALA . 27.0 m -51.46 -31.4 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.133 0.492 . . . . 0.0 111.023 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.439 ' OE1' ' CE2' ' B' ' 31' ' ' PHE . 18.1 tt0 -76.01 -42.07 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.475 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' GLN . 48.8 t -60.09 -47.38 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.454 HD22 HG22 ' A' ' 3' ' ' ILE . 13.3 mt -57.42 -49.4 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.067 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -84.77 -22.81 29.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -97.4 -45.42 6.46 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.181 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 20' ' ' VAL . 41.3 mm-40 57.7 85.98 0.17 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.659 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.49 169.04 5.96 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.103 2.535 . . . . 0.0 112.731 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.98 -37.56 6.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.269 1.979 . . . . 0.0 111.559 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -133.01 134.07 43.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -73.13 -44.18 60.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.407 HG13 ' N ' ' B' ' 30' ' ' GLU . 10.1 p -63.12 -44.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.664 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' HG13 ' B' ' 29' ' ' VAL . 15.0 tt0 -70.94 -33.9 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.439 ' CE2' ' OE1' ' B' ' 19' ' ' GLU . 39.9 t80 -72.24 -29.19 63.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.896 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.87 -52.55 8.7 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.855 ' O ' HG23 ' B' ' 37' ' ' THR . 10.6 m -45.99 -43.92 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.513 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -72.99 -35.63 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.72 -39.15 90.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.295 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -77.51 -34.54 54.02 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.855 HG23 ' O ' ' B' ' 33' ' ' VAL . 69.3 p -66.92 -43.2 83.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.111 0.482 . . . . 0.0 110.046 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 91.2 mtt180 -60.9 -39.99 91.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.422 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.05 -55.9 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -68.09 -56.82 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.459 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -52.81 -24.67 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.592 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' B' ' 38' ' ' ARG . . . -70.96 -38.71 72.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.655 0.264 . . . . 0.0 111.322 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -121.5 -168.68 1.73 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.111 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.332 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 31.9 ttp -169.51 -59.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -169.28 32.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -99.45 75.44 1.96 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 582' ' ' ILE . . . . . 0.406 HG23 ' N ' ' C' ' 583' ' ' GLY . 14.7 tt -68.76 -41.05 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 583' ' ' GLY . . . . . 0.406 ' N ' HG23 ' C' ' 582' ' ' ILE . . . -85.53 -151.22 15.45 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.566 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 77.5 p -171.35 112.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -57.13 -59.8 4.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 8.2 p 59.43 -164.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.829 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 91.23 -53.22 3.18 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.552 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -175.94 -169.71 0.35 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.563 0.221 . . . . 0.0 110.556 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' C' ' 590' ' ' PRO . 20.9 t 74.7 118.87 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.907 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 590' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' C' ' 589' ' ' VAL . 60.7 Cg_exo -53.13 -156.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.539 2.159 . . . . 0.0 112.964 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 -78.87 0.38 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.845 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -51.22 -24.73 4.62 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.47 -28.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.544 ' CZ3' ' NE2' ' B' ' 14' ' ' GLN . 54.3 t-105 -80.22 -48.49 13.02 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -57.31 -44.86 84.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -64.63 -59.46 4.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 597' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' B' ' 18' ' ' VAL . . . -48.98 -34.74 13.64 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.75 -35.88 81.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.549 0.214 . . . . 0.0 110.806 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.77 -46.2 79.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 38.2 t -69.64 -38.08 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -65.58 -37.99 88.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.917 0.389 . . . . 0.0 110.052 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.1 -57.17 7.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 13' ' ' LEU . 11.5 p -61.17 -26.92 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 112.098 0.406 . . . . 0.0 112.098 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -72.53 -47.58 47.21 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -67.77 -24.92 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.481 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -59.37 2.77 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.64 -31.45 2.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.945 -0.472 . . . . 0.0 111.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -31.85 71.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.289 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 2.8 m -67.73 -41.07 84.04 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.29 -23.83 57.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.0 109.941 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.44 HD11 HD13 ' A' ' 21' ' ' LEU . 61.9 mt -86.84 -47.51 8.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.787 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -50.52 -26.57 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.231 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 19.98 12.74 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.277 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.636 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -170.74 138.07 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.667 0.27 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 26.2 tpp 71.73 30.86 2.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.404 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 61.16 173.89 1.23 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 69.4 m -66.38 -43.74 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.12 157.42 26.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.2 p 62.11 33.71 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.3 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.7 ' C ' HD12 ' A' ' 3' ' ' ILE . 13.1 t60 -162.98 113.33 1.41 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.759 0.314 . . . . 0.0 111.242 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 2' ' ' HIS . 4.8 mp -149.65 -70.13 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.778 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER 67.49 105.44 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.246 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.3 mm -43.21 102.39 0.28 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.6 108.25 0.18 Allowed 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.486 2.124 . . . . 0.0 112.824 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.99 150.87 6.26 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.238 1.959 . . . . 0.0 112.331 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.1 -24.9 5.75 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.367 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.539 HD23 HD12 ' B' ' 28' ' ' LEU . 1.9 tm? -62.09 -32.97 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.179 0.49 . . . . 0.0 110.559 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.646 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.78 -28.04 68.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.19 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.35 -41.83 65.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 111.303 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' HG ' HD22 ' B' ' 13' ' ' LEU . 7.1 mp -75.18 -28.56 60.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.033 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -47.12 81.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.22 60.51 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.349 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 54.5 t80 -75.34 -50.64 15.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.903 0.382 . . . . 0.0 110.926 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.612 HG21 ' HA ' ' C' ' 605' ' ' LYS . 25.1 m -51.77 -59.95 3.72 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.44 -32.06 16.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -52.87 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.201 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -48.0 -37.82 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD21 HD13 ' B' ' 5' ' ' ILE . 5.8 mp -75.62 -52.22 11.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.297 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -22.96 63.41 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -98.83 -34.56 10.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.215 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 57.06 73.57 0.77 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.723 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.82 163.28 16.07 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 0.0 112.444 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.16 -31.1 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.547 2.165 . . . . 0.0 112.569 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.24 139.84 48.44 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 110.98 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -82.02 -28.8 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.931 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HD11 ' B' ' 12' ' ' LEU . 4.0 t -75.17 -56.32 9.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.887 0.375 . . . . 0.0 111.194 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.16 92.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.23 -25.06 66.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -70.55 -43.16 70.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.637 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -55.5 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.25 -37.0 15.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.72 0.295 . . . . 0.0 111.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -78.65 -50.89 10.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 6.4 m-85 -67.0 -38.05 85.31 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.2 p -63.23 -51.31 66.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.953 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' ALA . 16.2 mmt180 -57.62 -48.84 78.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.08 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.37 -56.01 9.25 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.928 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -64.46 -47.3 79.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.86 -26.23 68.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.249 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' ARG . . . -52.33 -48.97 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 111.234 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -83.75 171.23 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.243 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -74.18 121.06 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.312 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 37.0 ttp -79.8 -59.09 2.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 59.15 -90.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.551 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 60.7 p -170.2 142.11 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.331 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -167.48 130.29 1.67 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.22 105.32 14.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.442 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' HIS . . . . . 0.421 ' CD2' ' C ' ' B' ' 2' ' ' HIS . 2.9 t60 176.83 129.14 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.664 HG21 HD13 ' C' ' 612' ' ' LEU . 0.2 OUTLIER -156.47 179.01 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.915 -179.107 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' B' ' 5' ' ' ILE . 0.1 OUTLIER -165.97 88.13 0.38 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.137 0.494 . . . . 0.0 111.539 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.595 HD13 HD21 ' A' ' 21' ' ' LEU . 43.9 mm -17.15 100.96 0.05 OUTLIER Pre-proline 0 N--CA 1.47 0.554 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.982 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.55 166.78 0.71 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 121.845 1.697 . . . . 0.0 111.622 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -86.0 137.34 5.39 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.666 2.244 . . . . 0.0 112.839 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -27.95 16.26 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.897 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -50.56 -47.54 57.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.53 0.205 . . . . 0.0 111.223 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -54.66 -48.88 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -54.89 -53.65 52.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.768 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.456 HD11 HG22 ' A' ' 29' ' ' VAL . 3.3 mm? -50.49 -57.61 7.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.374 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.481 HD22 ' HG ' ' A' ' 13' ' ' LEU . 93.1 mt -58.6 -23.85 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.38 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -43.68 74.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.747 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.55 -34.28 80.7 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.114 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.703 ' O ' HG23 ' B' ' 20' ' ' VAL . 29.3 t80 -78.26 -49.5 13.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.52 0.2 . . . . 0.0 111.45 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -52.84 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.326 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 m -47.97 -36.57 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.965 0.412 . . . . 0.0 111.944 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -79.09 -52.62 7.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 16' ' ' TYR . 96.5 t -48.38 -54.41 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.1 -41.09 82.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -71.83 -25.68 62.07 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -104.45 -45.01 4.77 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 61.65 79.34 0.28 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -82.33 167.69 15.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.61 2.207 . . . . 0.0 112.776 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.55 -35.04 18.26 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.421 2.08 . . . . 0.0 111.805 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -132.45 131.96 42.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 9' ' ' LEU . 3.8 mm? -70.49 -36.73 74.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.721 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.59 -52.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.07 -42.55 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -72.0 -26.14 62.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.225 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.21 -44.72 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -35.71 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.833 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -77.9 -40.22 40.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.841 0.353 . . . . 0.0 111.388 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -60.03 -52.86 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 26.4 m-85 -62.94 -46.89 85.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.259 -0.176 . . . . 0.0 111.415 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -58.51 -37.17 75.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.994 0.426 . . . . 0.0 110.007 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.52 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.731 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -52.39 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.549 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -54.52 -59.23 4.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -55.75 -45.57 78.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.365 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' B' ' 43' ' ' ARG . . . -70.0 -29.6 66.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.405 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' B' ' 44' ' ' ALA . 0.0 OUTLIER 27.24 43.89 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.111 0.564 . . . . 0.0 112.404 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' B' ' 43' ' ' ARG . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 83.3 mmm -144.73 -66.43 0.33 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.699 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -160.87 44.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.636 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.83 84.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.639 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 15.8 mm -133.19 130.4 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.798 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -70.43 -106.82 0.04 OUTLIER Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 53.7 p -171.82 128.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.711 0.291 . . . . 0.0 110.794 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -76.32 -73.02 0.3 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 6.9 t -177.77 153.78 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 159.08 -35.02 0.49 Allowed Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 588' ' ' TYR . . . . . 0.88 ' O ' HG22 ' C' ' 589' ' ' VAL . 1.0 OUTLIER 46.87 77.24 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.88 HG22 ' O ' ' C' ' 588' ' ' TYR . 1.2 m 77.01 148.13 0.12 Allowed Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.696 -178.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -77.52 36.74 0.57 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.393 2.062 . . . . 0.0 113.354 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 591' ' ' GLU . . . . . 0.483 ' H ' HG23 ' C' ' 589' ' ' VAL . 33.4 tt0 62.42 -74.73 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -48.15 -23.46 0.86 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -26.1 11.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.114 -0.366 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.63 ' HB2' HG21 ' C' ' 589' ' ' VAL . 44.3 t-105 -73.04 -47.62 43.24 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.08 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -57.4 -43.15 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -66.99 -56.89 8.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.28 -38.05 17.85 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.23 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.2 -44.76 83.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.557 ' O ' HG12 ' C' ' 604' ' ' VAL . . . -55.25 -36.04 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.709 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 601' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 23.3 t -80.0 -45.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.51 -37.58 87.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 110.248 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -70.07 -57.26 5.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.557 HG12 ' O ' ' C' ' 600' ' ' ALA . 7.2 p -61.62 -28.11 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 605' ' ' LYS . . . . . 0.612 ' HA ' HG21 ' A' ' 17' ' ' THR . 17.8 ttpp -76.4 -47.01 24.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.382 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -63.32 -31.84 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.782 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -77.43 -48.33 17.46 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.56 -31.81 3.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.385 0.539 . . . . 0.0 110.92 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 27.1 ttp -64.88 -36.65 85.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.123 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 69.3 m -67.25 -39.52 86.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.3 -26.8 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.724 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.664 HD13 HG21 ' B' ' 3' ' ' ILE . 0.7 OUTLIER -89.6 -49.22 6.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.766 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -58.12 -20.58 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.369 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.26 63.92 0.44 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 111.038 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.058 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 57.07 -85.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.569 0.223 . . . . 0.0 111.275 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 22.2 ttp -111.91 -57.36 2.27 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -61.3 -178.58 2.64 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.591 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 73.3 m -166.29 175.27 8.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.737 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -141.78 145.28 34.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 57.9 p -147.27 -83.75 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.659 ' C ' HD12 ' A' ' 3' ' ' ILE . 1.0 OUTLIER 170.81 -40.74 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.524 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.659 HD12 ' C ' ' A' ' 2' ' ' HIS . 4.2 mp -152.73 152.65 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.069 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.19 110.55 4.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.4 mm -52.58 106.11 0.61 Allowed Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 33.0 Cg_exo -62.4 138.29 70.21 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.09 1.86 . . . . 0.0 112.636 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 26.6 Cg_exo -61.91 160.87 27.7 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.882 1.721 . . . . 0.0 112.048 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.3 -23.99 3.75 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.033 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -53.2 33.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.522 0.661 . . . . 0.0 110.915 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -45.11 61.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.38 -38.32 77.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.43 -43.47 66.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.407 . . . . 0.0 111.268 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' HB2' HG21 ' C' ' 604' ' ' VAL . 14.5 mt -75.34 -31.91 60.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.188 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 18' ' ' VAL . 21.4 tt0 -64.84 -43.03 94.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.214 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.95 -41.63 77.56 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.816 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 20' ' ' VAL . 48.0 t80 -70.64 -48.4 55.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.373 . . . . 0.0 111.12 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.416 HG21 ' HA ' ' C' ' 605' ' ' LYS . 1.9 m -55.67 -59.87 4.24 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' GLN . 26.1 m -48.98 -26.97 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.02 -44.91 21.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 16' ' ' TYR . 4.8 t -57.57 -38.91 66.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.456 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 mt -74.41 -35.59 63.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.275 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.21 -23.1 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -106.22 -41.98 5.19 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.653 0.263 . . . . 0.0 111.494 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 59.97 78.59 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.837 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -82.31 170.18 13.56 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.42 -33.07 7.35 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.421 2.081 . . . . 0.0 112.254 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.86 153.21 51.54 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.248 0.547 . . . . 0.0 111.17 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.73 -42.6 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 30' ' ' GLU . 13.9 p -64.58 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.523 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' N ' HG13 ' A' ' 29' ' ' VAL . 36.1 mt-10 -69.28 -50.79 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.4 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -56.05 -25.21 44.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.527 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.83 -44.07 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.582 HG13 ' OG1' ' A' ' 37' ' ' THR . 78.7 t -63.98 -56.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -47.73 -35.44 9.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.57 -55.62 5.06 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -75.41 -38.13 60.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.582 ' OG1' HG13 ' A' ' 33' ' ' VAL . 3.6 m -66.26 -43.31 86.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -77.53 -25.78 50.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.767 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 tp -59.44 -55.17 37.99 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.299 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -46.06 -37.11 6.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.977 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.28 -36.37 46.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.82 92.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -86.86 160.59 18.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.253 179.823 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -170.16 127.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.698 0.285 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 70.7 mtm -89.46 -62.3 1.51 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.827 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 160.44 125.82 0.8 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.337 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 54.0 p -171.92 135.96 0.86 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 6.4 mmt -146.25 138.71 25.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.597 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 67.5 m -167.4 -40.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.73 98.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.279 0.561 . . . . 0.0 110.454 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.407 HD12 ' CD1' ' C' ' 612' ' ' LEU . 14.1 mm -154.68 -49.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.003 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -45.66 137.97 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.955 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.92 115.33 19.95 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.567 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.75 166.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.141 1.894 . . . . 0.0 112.502 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.59 100.11 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.614 2.209 . . . . 0.0 112.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.45 -28.94 3.08 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.866 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.63 -47.18 82.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.1 m -54.49 -48.14 72.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.882 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.32 -29.86 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.519 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.25 -57.47 8.38 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.78 -35.16 68.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -68.19 -44.16 76.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.995 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.88 -35.92 49.02 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -80.06 -46.77 15.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.379 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m -55.8 -49.73 72.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.331 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 m -51.88 -33.01 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.74 -38.6 53.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.678 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' B' ' 24' ' ' GLN . 77.7 t -60.91 -50.68 79.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -74.2 -23.36 59.19 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -109.98 -52.34 2.78 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.686 0.279 . . . . 0.0 111.651 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' B' ' 20' ' ' VAL . 48.1 mt-30 64.28 83.64 0.19 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -86.61 173.59 6.21 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.847 2.365 . . . . 0.0 112.781 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.13 -28.36 9.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -132.21 135.46 46.33 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.026 0.441 . . . . 0.0 110.893 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -78.59 -41.58 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.17 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.457 HG13 ' N ' ' B' ' 30' ' ' GLU . 10.4 p -67.36 -46.94 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.457 ' N ' HG13 ' B' ' 29' ' ' VAL . 27.1 tt0 -59.21 -56.37 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.49 -25.72 38.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.98 -48.02 17.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.842 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.9 -55.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 110.821 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.54 -39.98 81.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.209 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.28 -60.33 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.402 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 39.1 m-85 -59.53 -42.99 93.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.537 0.208 . . . . 0.0 111.51 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -57.49 -31.27 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -76.89 -36.74 56.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -56.1 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.56 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -69.67 -29.31 66.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.845 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.26 -23.7 40.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.15 -32.13 24.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.331 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.36 176.81 8.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.89 0.376 . . . . 0.0 111.024 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.337 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.728 0.299 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 55.8 mtt -63.97 148.49 49.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.93 52.24 2.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 581' ' ' ASP . . . . . 0.514 ' O ' HD13 ' C' ' 582' ' ' ILE . 19.3 t70 -169.43 32.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 582' ' ' ILE . . . . . 0.514 HD13 ' O ' ' C' ' 581' ' ' ASP . 19.4 mm -137.52 103.17 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -97.81 87.65 0.87 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.549 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 584' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' C' ' 585' ' ' ALA . 1.4 t 76.71 -53.44 0.58 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.551 0.215 . . . . 0.0 111.399 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 585' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' C' ' 584' ' ' SER . . . 77.82 -58.69 0.46 Allowed 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.374 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 75.2 p -165.35 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.188 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 97.88 66.61 0.9 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.318 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 588' ' ' TYR . . . . . 0.511 ' C ' HG13 ' C' ' 589' ' ' VAL . 7.0 t80 -45.61 140.64 3.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 111.811 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.511 HG13 ' C ' ' C' ' 588' ' ' TYR . 0.6 OUTLIER 68.57 140.82 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.11 -179.386 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 590' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' C' ' 592' ' ' GLU . 73.7 Cg_endo -71.82 46.77 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.099 2.533 . . . . 0.0 114.22 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 59.66 -70.48 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 592' ' ' GLU . . . . . 0.442 ' HG2' HD13 ' A' ' 3' ' ' ILE . 11.1 tt0 -49.08 -26.46 2.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 111.982 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 2.0 mm -73.34 -26.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.225 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.432 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 58.8 t-105 -78.59 -47.9 16.23 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -45.12 81.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.05 -57.88 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.771 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -40.71 28.77 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 120.866 0.365 . . . . 0.0 111.567 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.15 -34.73 76.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -64.47 -45.35 87.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.264 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.56 -43.92 72.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.044 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.7 -44.63 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -61.81 -34.78 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -74.02 -53.41 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.401 HG21 ' HB2' ' A' ' 13' ' ' LEU . 2.5 p -65.35 -29.71 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 605' ' ' LYS . . . . . 0.416 ' HA ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -75.64 -44.9 40.25 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -63.86 -23.79 67.49 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.48 -55.25 5.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.921 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 608' ' ' ALA . . . . . 0.405 ' HB1' ' CG1' ' A' ' 18' ' ' VAL . . . -45.05 -33.95 2.32 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -27.51 62.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.588 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 14.4 m -74.28 -42.07 60.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.58 -32.69 70.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.323 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.407 ' CD1' HD12 ' B' ' 3' ' ' ILE . 4.2 pp -89.35 -24.58 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.611 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -75.74 6.42 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.21 30.76 4.18 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.899 0.38 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.084 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -170.9 123.06 0.6 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.702 0.287 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 6.8 tpt 75.99 29.37 0.79 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 63.36 -127.67 37.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.625 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 55.3 p -56.25 -179.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.671 0.272 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.07 105.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.701 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.4 t -146.87 -153.41 0.49 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.002 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -155.43 117.03 4.02 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.935 0.397 . . . . 0.0 110.257 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.479 ' CG2' HD22 ' B' ' 21' ' ' LEU . 7.8 mt -137.52 149.23 25.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.104 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -152.42 116.18 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.636 -0.257 . . . . 0.0 111.341 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.7 mm -39.29 100.69 0.22 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 120.591 0.234 . . . . 0.0 110.721 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.09 111.32 0.46 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.606 2.204 . . . . 0.0 113.144 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.42 144.33 24.7 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.038 1.825 . . . . 0.0 112.084 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.25 -26.46 7.84 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.262 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.2 tt -55.83 -42.91 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 0.0 110.62 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.91 HG23 HG12 ' C' ' 604' ' ' VAL . 85.4 m -57.39 -42.34 82.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -29.69 70.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.09 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.59 -43.48 63.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.541 HD12 HG11 ' C' ' 604' ' ' VAL . 29.0 mt -71.25 -40.49 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.58 -42.32 74.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.15 -49.41 59.66 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.306 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.39 -42.19 96.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -55.17 -59.58 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.159 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 m -55.39 -33.38 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.742 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.6 -45.51 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.729 0.299 . . . . 0.0 110.797 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' B' ' 9' ' ' LEU . 55.3 t -66.67 -34.03 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.263 0.554 . . . . 0.0 109.974 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mp -74.56 -37.43 62.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.468 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HB2' HD21 ' C' ' 612' ' ' LEU . 4.4 tmm_? -85.46 -23.04 27.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.928 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.33 -51.8 2.83 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 65.57 91.57 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.47 173.81 2.12 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.112 2.541 . . . . 0.0 112.724 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -74.47 -31.03 7.53 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.443 2.095 . . . . 0.0 111.986 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -132.61 137.05 46.91 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.96 -53.03 7.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.01 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -55.26 -38.77 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -53.56 28.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -58.42 -28.42 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.607 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.37 -42.03 88.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.61 HG11 HG23 ' B' ' 37' ' ' THR . 0.2 OUTLIER -66.82 -59.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -49.34 -32.59 11.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.849 0.357 . . . . 0.0 110.945 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -78.77 -49.03 13.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -73.22 -50.76 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.52 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -55.38 -48.64 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.579 0.228 . . . . 0.0 111.589 -178.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.48 -55.06 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -51.36 -25.81 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -80.3 -28.94 38.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.12 57.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.328 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -131.03 -170.34 2.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.35 179.662 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.394 -0.282 . . . . 0.0 112.394 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -171.25 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.036 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 21.5 ttt -169.66 133.47 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -174.75 73.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.571 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 20.6 t -67.06 -44.67 79.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.982 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 21.3 mmt 54.31 28.88 9.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.003 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.5 m 57.73 61.64 2.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -169.63 -158.5 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.011 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.426 HD12 HD12 ' C' ' 612' ' ' LEU . 10.1 tt -167.14 157.78 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.66 128.92 21.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.758 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.46 144.98 87.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.096 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.69 165.15 18.13 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.785 2.324 . . . . 0.0 112.258 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -85.91 147.81 9.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.678 2.252 . . . . 0.0 112.902 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.1 -36.66 3.59 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.866 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.486 ' CD1' HG11 ' A' ' 20' ' ' VAL . 4.1 tt -53.08 -45.37 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.65 0.262 . . . . 0.0 111.005 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.9 m -54.88 -45.83 74.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.895 0.378 . . . . 0.0 110.822 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -62.77 -33.05 74.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.756 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.93 -47.78 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.578 0.227 . . . . 0.0 111.295 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.95 -53.53 48.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.54 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.442 HE22 ' HH2' ' C' ' 594' ' ' TRP . 0.9 OUTLIER -57.88 -31.12 66.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.997 -179.183 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.401 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.8 -35.46 82.32 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.675 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -79.7 -42.64 24.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 109.934 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -56.16 -45.21 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.855 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.401 HG22 ' O ' ' B' ' 15' ' ' GLY . 16.0 m -54.97 -28.68 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.35 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -79.12 -47.54 15.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' B' ' 24' ' ' GLN . 29.4 t -52.95 -47.36 53.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.183 0.516 . . . . 0.0 110.145 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.479 HD22 ' CG2' ' A' ' 3' ' ' ILE . 7.3 mt -58.98 -42.92 91.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.103 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.46 -23.22 40.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -107.59 -50.41 3.07 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 63.28 76.83 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.941 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -80.23 170.46 16.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.687 2.258 . . . . 0.0 112.766 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -71.47 -32.93 11.6 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.499 2.132 . . . . 0.0 112.091 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.53 136.8 46.87 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.114 0.483 . . . . 0.0 110.717 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 mt -72.32 -40.41 67.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.137 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.71 -56.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -48.87 23.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.894 0.378 . . . . 0.0 110.773 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -69.06 -25.43 64.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.583 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.79 -46.21 22.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.722 0.296 . . . . 0.0 111.72 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.454 ' O ' ' OG1' ' B' ' 37' ' ' THR . 0.0 OUTLIER -54.96 -59.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 109.92 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.93 -35.48 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.403 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -68.8 -52.76 26.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.471 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.71 -45.67 28.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.567 0.222 . . . . 0.0 111.548 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.61 HG23 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -60.73 -27.29 67.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.239 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -75.45 -36.35 60.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 109.939 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.06 -48.58 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.248 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' B' ' 40' ' ' ARG . 27.2 tpt180 -58.96 -38.4 78.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.11 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -80.68 -25.08 38.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.203 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.75 -27.93 22.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.012 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.34 147.77 47.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.861 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.829 0.347 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 27.2 mmt -143.51 -44.93 0.28 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.704 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 63.93 80.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.23 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -88.62 163.9 15.61 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.63 -24.09 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.233 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -147.73 -169.68 15.17 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 15.4 t -99.74 -58.89 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.841 0.353 . . . . 0.0 111.031 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 60.44 95.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.015 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 3.7 m 62.15 -176.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.997 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -85.05 50.61 4.42 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.667 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 588' ' ' TYR . . . . . 0.576 ' O ' HG22 ' C' ' 589' ' ' VAL . 3.0 t80 52.54 78.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.576 HG22 ' O ' ' C' ' 588' ' ' TYR . 0.8 OUTLIER 59.1 132.25 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.126 -178.302 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 590' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' C' ' 592' ' ' GLU . 36.9 Cg_endo -66.89 103.33 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.96 1.773 . . . . 0.0 113.022 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 591' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' C' ' 590' ' ' PRO . 44.9 mt-10 14.47 -76.22 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 592' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' C' ' 590' ' ' PRO . 53.2 mt-10 -45.19 -29.62 0.99 Allowed 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 23.7 mm -74.64 -27.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.25 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.442 ' HH2' HE22 ' B' ' 14' ' ' GLN . 64.7 t-105 -79.85 -47.36 15.26 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.263 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -56.05 -44.74 79.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -66.13 -58.17 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.615 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.52 20.49 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 111.7 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.9 -39.74 79.57 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.424 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.91 -44.09 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.899 ' O ' HG13 ' C' ' 604' ' ' VAL . . . -54.03 -55.02 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 601' ' ' VAL . . . . . 0.402 ' HA ' HG22 ' C' ' 604' ' ' VAL . 21.4 t -63.73 -39.04 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.77 -37.93 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.89 -51.77 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.91 HG12 HG23 ' A' ' 10' ' ' THR . 1.4 m -59.81 -28.1 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.489 . . . . 0.0 111.719 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -76.03 -49.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.838 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.572 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 607' ' ' GLN . . . . . 0.44 ' O ' ' OG1' ' C' ' 610' ' ' THR . 49.2 mt-30 -79.4 -54.94 5.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.006 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.42 -33.23 3.76 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.192 0.52 . . . . 0.0 111.546 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 4.0 mtm -69.57 -34.24 73.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 610' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -65.67 -35.81 81.86 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.546 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.17 -24.86 67.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.367 0.603 . . . . 0.0 109.494 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -89.63 -51.43 5.53 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.867 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -53.13 -23.66 8.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.99 68.69 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 111.241 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.16 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -66.76 79.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.104 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 3.6 tpt -169.17 64.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 173.32 152.02 8.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.567 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 36.5 m -168.47 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 14.1 ptp -66.8 -179.47 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.0 t -154.43 119.69 5.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 176.7 -54.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.086 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 mt -139.54 154.48 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.897 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -148.63 105.84 3.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.549 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.9 mm -39.23 99.23 0.19 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.022 0.202 . . . . 0.0 111.118 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.85 112.03 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.394 2.063 . . . . 0.0 112.502 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -45.82 157.12 0.37 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.206 1.937 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.7 -20.7 17.64 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.33 -32.84 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.51 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -65.57 -34.15 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.76 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -44.58 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 111.385 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.62 ' HG ' HD22 ' B' ' 13' ' ' LEU . 7.3 mp -73.93 -28.02 61.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.7 -44.54 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.71 -46.38 82.63 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.656 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.457 ' HD2' HD21 ' B' ' 13' ' ' LEU . 35.7 t80 -71.06 -47.22 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.064 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' HD12 ' A' ' 21' ' ' LEU . 58.6 m -58.43 -60.52 3.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.123 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.62 -26.31 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.693 0.282 . . . . 0.0 111.571 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -79.0 -41.43 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -39.2 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 0.0 110.747 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.659 HD22 ' CG2' ' B' ' 3' ' ' ILE . 1.1 mt -75.88 -49.04 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.242 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -63.02 -23.3 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -37.09 5.98 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 19.2 mm-40 59.16 74.55 0.58 Allowed Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.39 166.06 14.17 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.965 2.443 . . . . 0.0 113.264 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.04 -31.31 3.06 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.734 2.29 . . . . 0.0 112.672 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.23 145.22 51.18 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.288 0.566 . . . . 0.0 110.77 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.777 HD22 HD23 ' B' ' 9' ' ' LEU . 18.1 mt -86.64 -47.96 8.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.966 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 p -52.92 -40.59 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -73.84 -56.18 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -49.66 -27.69 4.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.96 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.6 -43.75 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.581 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 37' ' ' THR . 0.3 OUTLIER -72.61 -28.82 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.303 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.55 -36.97 71.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -79.15 -47.0 16.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.364 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.43 -51.14 60.1 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 33' ' ' VAL . 69.4 p -52.63 -52.73 54.24 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.919 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -56.06 15.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.22 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.58 -51.83 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.346 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -55.92 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.72 -38.4 80.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.237 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.53 73.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.333 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.92 147.69 26.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.211 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.586 -0.205 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -168.82 -62.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.712 0.291 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -141.5 -46.72 0.37 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.675 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -4' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' B' ' -3' ' ' SER . . . -167.46 -50.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' -3' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' -4' ' ' GLY . 1.1 t 85.58 -25.16 0.12 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.569 0.348 . . . . 0.0 111.436 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.67 165.25 15.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.753 0.311 . . . . 0.0 110.409 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 23.1 t -169.55 94.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' HIS . . . . . 0.681 ' C ' HD12 ' B' ' 3' ' ' ILE . 0.1 OUTLIER -179.04 -74.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.341 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.681 HD12 ' C ' ' B' ' 2' ' ' HIS . 3.8 mp -154.33 155.38 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.227 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -163.7 134.96 4.67 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.02 117.19 65.41 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.701 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.84 121.35 4.13 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.222 1.948 . . . . 0.0 112.055 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -43.62 142.07 3.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.354 2.036 . . . . 0.0 112.921 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -30.32 6.77 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.826 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.777 HD23 HD22 ' A' ' 28' ' ' LEU . 3.3 tm? -56.21 -42.63 77.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.596 0.236 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -52.48 -39.98 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.29 -44.93 78.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.219 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.88 -52.76 59.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.708 -0.223 . . . . 0.0 110.779 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' A' ' 13' ' ' LEU . 85.4 mt -60.59 -37.54 81.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.566 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 5.5 tt0 -66.14 -45.65 80.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.875 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.12 -36.54 52.32 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.184 -0.532 . . . . 0.0 112.656 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -79.69 -45.35 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.524 HG21 ' HB3' ' C' ' 600' ' ' ALA . 2.0 m -61.74 -29.41 70.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.4 -28.37 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.286 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -79.25 -47.62 15.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.902 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.509 HG12 ' O ' ' B' ' 17' ' ' THR . 5.9 p -53.05 -44.12 49.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -49.21 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -69.99 -23.47 63.15 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -101.57 -45.83 5.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.89 0.376 . . . . 0.0 111.738 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 64.21 71.17 0.6 Allowed Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.62 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -83.51 163.86 14.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.055 2.503 . . . . 0.0 112.392 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -76.54 -26.64 8.35 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.511 2.14 . . . . 0.0 113.118 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -132.42 136.91 47.07 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.086 0.469 . . . . 0.0 111.167 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.407 ' N ' HD22 ' B' ' 28' ' ' LEU . 2.4 mm? -83.3 -44.91 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.04 -39.42 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -71.47 -56.01 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.353 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.14 -28.82 55.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.141 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 -51.24 10.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.049 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.41 ' CG2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -57.19 -36.22 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -77.87 -36.01 50.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.903 0.383 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.37 -44.99 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.44 -41.95 75.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.492 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -60.61 -40.1 90.62 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.108 0.48 . . . . 0.0 110.082 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -58.5 -42.68 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.339 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.14 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -49.02 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.511 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.47 -27.83 67.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.25 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.59 -39.04 77.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.309 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.51 151.18 22.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.219 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.65 0.262 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 6.3 tpt 69.86 -62.58 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.019 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -162.57 31.34 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.25 179.45 4.03 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.584 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.27 -33.58 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 69.39 153.32 0.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.664 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 17.1 t -167.42 128.71 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.732 0.301 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 585' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' C' ' 587' ' ' GLY . . . -77.4 60.59 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.278 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 8.8 m 56.71 -82.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.061 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 587' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' C' ' 585' ' ' ALA . . . 104.01 -38.69 3.12 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.516 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -93.56 22.24 5.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 111.525 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.18 121.21 61.15 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.366 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 590' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' C' ' 592' ' ' GLU . 68.3 Cg_endo -71.45 58.68 2.47 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.114 1.876 . . . . 0.0 113.505 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 53.75 -80.97 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 592' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' C' ' 590' ' ' PRO . 50.2 mt-10 -45.33 -28.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 7.8 mm -73.61 -27.97 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.213 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.566 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 56.6 t-105 -80.16 -47.22 15.05 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -60.2 -41.33 92.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.278 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -69.3 -58.14 4.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.734 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -33.65 10.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 111.396 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.787 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.05 -46.31 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.715 0.293 . . . . 0.0 110.3 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.524 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -50.93 -41.79 59.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.83 -39.37 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -66.2 -41.72 89.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.314 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.73 -57.16 8.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.458 HG12 ' O ' ' C' ' 600' ' ' ALA . 9.4 p -62.11 -26.57 40.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.955 0.407 . . . . 0.0 111.887 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -73.13 -49.45 28.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.982 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -65.32 -23.77 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.048 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -79.61 -59.24 2.82 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.19 -30.83 2.12 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -63.78 -33.1 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.388 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 6.3 m -67.55 -42.26 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' C' ' 615' ' ' ALA . 8.2 mm-40 -58.48 -25.06 61.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.352 0.596 . . . . 0.0 110.104 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.489 HD22 ' CG1' ' B' ' 3' ' ' ILE . 0.3 OUTLIER -89.7 -38.13 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.151 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -75.58 -5.15 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.1 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -169.6 32.25 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 615' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' C' ' 611' ' ' GLU . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.269 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 68.35 -65.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 53.1 mtm -158.78 148.95 19.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.759 0.314 . . . . 0.0 110.511 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -167.54 -89.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.81 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 67.4 m -58.08 165.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 111.219 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.1 mmt -81.1 -77.61 0.2 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.7 m -165.65 83.34 0.33 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.12 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.662 ' O ' HD13 ' A' ' 3' ' ' ILE . 1.6 p80 -136.45 49.63 2.08 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.296 0.57 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.662 HD13 ' O ' ' A' ' 2' ' ' HIS . 7.9 mm -133.4 155.63 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.142 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -157.16 109.43 2.44 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.51 115.84 28.29 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.301 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.63 144.4 15.66 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.126 1.884 . . . . 0.0 112.178 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -86.21 34.86 0.47 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.329 2.019 . . . . 0.0 113.403 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.05 -39.8 0.47 Allowed Glycine 0 CA--C 1.51 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.658 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.649 HD12 ' CD2' ' B' ' 28' ' ' LEU . 0.7 OUTLIER -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -61.05 -44.32 97.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -28.81 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.14 -39.94 62.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 111.172 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HB3' HG11 ' C' ' 604' ' ' VAL . 6.3 mp -73.45 -35.87 65.81 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.267 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.7 -43.57 97.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.426 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.21 65.2 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.356 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -71.83 -48.76 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -56.83 -59.77 4.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.326 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -53.78 -28.12 16.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.941 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -78.83 -41.02 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.079 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG11 HD12 ' B' ' 9' ' ' LEU . 45.1 t -60.41 -37.43 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.936 0.398 . . . . 0.0 110.689 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD23 HG21 ' B' ' 3' ' ' ILE . 0.9 OUTLIER -73.32 -35.26 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.317 179.65 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -82.62 -23.41 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -114.87 -49.55 2.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.0 mt-30 66.17 92.79 0.06 OUTLIER Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.66 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -89.24 169.82 4.95 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.93 2.42 . . . . 0.0 112.553 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.25 -36.1 12.82 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.26 1.973 . . . . 0.0 111.75 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -132.8 133.8 43.85 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.779 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.6 mp -81.16 -23.96 37.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 ' HG2' ' B' ' 40' ' ' ARG . 9.3 t -70.26 -50.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.82 -49.34 59.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.284 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -48.7 -25.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.978 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.26 -38.95 60.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.62 -59.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.12 -30.71 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -78.62 -44.77 23.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.647 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.49 -41.69 46.2 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.329 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.0 p -58.5 -55.44 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.51 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -53.59 -36.23 61.71 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.945 0.402 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.48 -52.38 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.855 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.558 ' HG2' HG22 ' B' ' 29' ' ' VAL . 0.0 OUTLIER -54.6 -50.66 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.865 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.59 -34.32 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.31 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.22 -45.22 72.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -96.16 167.32 11.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.779 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.17 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -169.97 123.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.666 0.269 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 15.8 ptp -106.24 -29.42 9.82 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 175.58 142.03 4.01 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.705 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 72.4 m -167.09 138.98 3.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 0.0 110.63 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -172.06 175.47 3.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 96.3 p -146.92 62.55 1.19 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' HIS . . . . . 0.475 ' O ' ' NE2' ' B' ' 4' ' ' GLN . 0.7 OUTLIER -147.07 63.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.326 0.584 . . . . 0.0 110.208 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.489 HD11 HD22 ' C' ' 612' ' ' LEU . 9.5 mm -52.52 156.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.052 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' B' ' 2' ' ' HIS . 1.2 mp0 -145.67 111.23 5.43 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 42.6 mm -58.92 112.37 4.95 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.703 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.16 163.78 2.11 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.991 1.794 . . . . 0.0 111.743 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -86.1 111.14 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.612 2.208 . . . . 0.0 112.98 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.11 -30.31 4.83 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.363 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 20' ' ' VAL . 4.9 tt -53.67 -42.75 68.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.569 0.223 . . . . 0.0 111.159 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.4 m -51.98 -40.9 61.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 0.0 111.385 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -74.16 -42.81 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.46 -57.57 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.75 -35.57 78.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.822 0.344 . . . . 0.0 110.274 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -63.74 -44.37 93.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -37.63 56.72 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.794 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 71.7 t80 -79.97 -47.18 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.585 HG23 HD22 ' A' ' 9' ' ' LEU . 3.7 m -55.73 -48.35 75.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.074 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.4 m -48.17 -25.95 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.97 -40.98 30.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' B' ' 21' ' ' LEU . 0.8 OUTLIER -59.6 -43.28 90.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.821 0.343 . . . . 0.0 111.167 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' B' ' 20' ' ' VAL . 3.5 mm? -61.68 -53.4 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.522 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -79.01 -22.97 44.71 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.87 -51.27 3.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.736 0.303 . . . . 0.0 111.246 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 63.98 65.25 1.19 Allowed Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.485 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.06 166.24 29.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.851 2.367 . . . . 0.0 112.221 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.03 -25.94 8.31 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.453 2.102 . . . . 0.0 113.175 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.36 134.0 44.66 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.097 0.475 . . . . 0.0 111.132 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.649 ' CD2' HD12 ' A' ' 9' ' ' LEU . 4.3 mt -81.21 -50.52 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.077 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.558 HG22 ' HG2' ' A' ' 40' ' ' ARG . 12.5 p -58.96 -43.75 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.802 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.446 ' N ' HG13 ' B' ' 29' ' ' VAL . 17.6 tt0 -67.92 -56.5 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.41 -25.1 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.66 -38.29 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.405 ' O ' HG23 ' B' ' 37' ' ' THR . 42.0 t -61.08 -51.63 70.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 0.0 110.74 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.44 -45.03 96.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.54 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.1 -60.32 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.418 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.95 -41.44 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.486 0.184 . . . . 0.0 111.11 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 33' ' ' VAL . 24.4 p -64.67 -40.07 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -55.2 -46.83 75.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.308 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.52 -55.66 31.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.588 ' HG2' HG12 ' A' ' 29' ' ' VAL . 21.1 mmm180 -46.3 -63.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.609 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.44 -22.12 29.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.67 -36.27 51.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 111.091 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -91.92 160.18 15.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.03 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.154 -0.926 . . . . 0.0 111.246 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 4.2 ptp -107.46 -29.13 9.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 61.66 -162.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.1 126.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.899 0.381 . . . . 0.0 111.223 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 582' ' ' ILE . . . . . 0.419 HG23 ' N ' ' C' ' 583' ' ' GLY . 19.2 tt -170.67 -41.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 583' ' ' GLY . . . . . 0.419 ' N ' HG23 ' C' ' 582' ' ' ILE . . . -75.17 -121.71 0.12 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.519 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 4.5 m 62.01 121.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.821 0.343 . . . . 0.0 110.998 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -155.95 24.54 0.38 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.346 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 2.3 m 67.21 -63.64 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.284 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 587' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' C' ' 588' ' ' TYR . . . -166.78 -127.67 0.92 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.396 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 588' ' ' TYR . . . . . 0.545 ' CB ' ' O ' ' C' ' 587' ' ' GLY . 21.1 t80 113.67 -35.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.391 1.077 . . . . 0.0 111.267 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' C' ' 590' ' ' PRO . 4.7 t -100.46 120.97 54.77 Favored Pre-proline 0 C--N 1.307 -1.246 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.152 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 590' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' C' ' 589' ' ' VAL . 58.6 Cg_exo -52.58 -158.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.403 2.069 . . . . 0.0 113.019 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -99.74 -77.65 0.52 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.236 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.63 -21.88 7.67 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 593' ' ' ILE . . . . . 0.534 HD13 HD12 ' A' ' 3' ' ' ILE . 13.3 mm -73.42 -27.54 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.366 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.442 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 34.0 t-105 -79.94 -46.98 15.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -58.17 -43.72 87.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.196 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.76 -54.39 16.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.176 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.39 -34.08 15.36 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.9 -33.72 76.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.175 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.42 -45.27 84.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.054 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.51 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.84 -37.84 64.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.967 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 601' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 48.7 t -78.31 -41.16 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.96 -36.4 82.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.0 -56.96 6.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.412 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 13' ' ' LEU . 9.6 p -60.43 -27.6 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 605' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 0.6 OUTLIER -76.96 -48.61 17.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.45 -32.53 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.443 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 607' ' ' GLN . . . . . 0.88 ' O ' HG22 ' C' ' 610' ' ' THR . 17.8 pt20 -79.4 -46.67 17.12 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -48.23 -34.24 9.92 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.687 0.676 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 5.4 ptm -65.9 -32.49 74.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.584 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 610' ' ' THR . . . . . 0.88 HG22 ' O ' ' C' ' 607' ' ' GLN . 5.1 t -70.88 -31.7 68.44 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.2 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.45 -25.02 66.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.535 0.683 . . . . 0.0 109.875 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.489 HD22 HD11 ' B' ' 3' ' ' ILE . 0.3 OUTLIER -88.4 -44.01 11.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.828 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -59.16 -20.08 50.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -97.63 28.92 3.54 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.845 0.355 . . . . 0.0 111.029 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.11 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 59.06 161.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 111.251 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 28.1 tpp 73.87 27.2 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -91.49 -125.16 3.31 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.397 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 27.7 t -69.35 169.64 11.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.783 0.325 . . . . 0.0 110.797 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 5.2 mmt -90.38 13.7 14.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.422 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.5 t 60.57 154.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 0.1 OUTLIER -100.75 47.7 0.92 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.311 0.577 . . . . 0.0 110.812 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.432 ' CG2' HD13 ' C' ' 593' ' ' ILE . 9.5 mt -135.37 29.66 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.51 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.36 125.13 25.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.708 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.0 mm -42.89 103.92 0.34 Allowed Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.85 -0.159 . . . . 0.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.27 111.57 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.614 2.21 . . . . 0.0 113.279 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.64 147.36 13.5 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.0 1.8 . . . . 0.0 111.931 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.24 -22.98 8.77 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.063 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.57 -41.88 77.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.977 0.388 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -56.24 -41.36 75.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.63 -32.86 74.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.501 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.38 -42.62 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' C' ' 604' ' ' VAL . 7.3 mp -72.34 -32.19 66.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.4 94.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.29 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.39 -44.79 66.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.823 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.656 ' O ' HG23 ' A' ' 20' ' ' VAL . 41.5 t80 -73.62 -50.77 19.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.244 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -51.81 -58.52 6.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.929 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.33 -32.72 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.589 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -75.93 -43.93 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.523 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 16' ' ' TYR . 93.4 t -54.56 -45.12 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.556 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD23 HD22 ' C' ' 612' ' ' LEU . 16.3 tp -75.48 -32.96 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 112.031 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -60.64 -39.23 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -111.09 -23.69 10.76 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 55.05 86.38 0.17 Allowed Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.699 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -84.03 169.45 11.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.659 2.239 . . . . 0.0 112.461 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.25 -30.22 5.65 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.55 2.167 . . . . 0.0 112.527 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -132.72 140.17 47.96 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.115 0.483 . . . . 0.0 111.276 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.5 -53.57 6.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.373 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 30' ' ' GLU . 8.6 p -53.95 -46.06 64.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.619 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' N ' HG13 ' A' ' 29' ' ' VAL . 7.8 tp10 -65.18 -55.96 15.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.996 0.427 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.03 -25.31 29.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.2 -43.5 74.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.386 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.46 -57.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -47.79 -35.02 9.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 0.0 111.317 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -78.62 -49.99 12.27 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.2 -41.17 81.75 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.0 p -59.12 -52.02 67.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -50.78 -55.43 16.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tt -50.88 -55.83 15.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.71 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -56.71 -52.52 64.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.97 -36.62 72.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.37 -45.06 69.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ptt180 -104.9 -175.08 2.69 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.689 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.333 179.49 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.4 104.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.775 0.321 . . . . 0.0 111.231 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 42.3 mtp -103.64 -67.32 0.9 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -72.12 76.54 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.375 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 37.8 m -170.75 -32.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.605 0.24 . . . . 0.0 111.27 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 19.2 mtt 67.7 148.35 0.05 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.933 0.397 . . . . 0.0 110.64 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 70.0 m -82.29 -32.41 29.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.667 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' HIS . . . . . 0.598 ' O ' ' HB ' ' B' ' 3' ' ' ILE . 34.7 p80 -141.49 -31.25 0.58 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.705 HD12 ' HB3' ' C' ' 612' ' ' LEU . 96.2 mt 88.9 102.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.184 0.594 . . . . 0.0 110.512 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -47.31 136.96 8.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.446 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.526 HD11 ' SD ' ' C' ' 609' ' ' MET . 28.1 mt -92.45 145.12 29.94 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.78 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.91 158.7 56.88 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.454 2.103 . . . . 0.0 112.434 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -86.13 148.4 9.2 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.655 2.237 . . . . 0.0 112.837 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.19 -34.58 4.86 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.75 -42.77 65.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.594 0.235 . . . . 0.0 110.673 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.508 HG22 ' OE1' ' B' ' 14' ' ' GLN . 1.3 m -59.7 -51.88 67.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.044 0.449 . . . . 0.0 111.292 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.07 -44.63 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.876 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.97 -55.89 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.247 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.38 -31.6 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.225 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.508 ' OE1' HG22 ' B' ' 10' ' ' THR . 32.4 mt-30 -68.17 -42.68 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.637 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.08 87.61 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.465 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -79.79 -48.69 13.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.59 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -52.49 -53.23 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 m -46.79 -35.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.1 -34.87 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' B' ' 24' ' ' GLN . 26.4 t -64.92 -44.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.157 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.74 -53.33 59.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.131 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -71.41 -23.43 61.86 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -107.86 -52.24 2.79 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.863 0.363 . . . . 0.0 111.67 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' B' ' 20' ' ' VAL . 45.3 mt-30 64.16 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -90.12 168.45 4.42 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.925 2.417 . . . . 0.0 112.491 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.89 -36.53 22.9 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.316 2.01 . . . . 0.0 112.004 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -132.97 135.89 45.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.51 -42.73 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.35 -37.58 74.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.807 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.14 -46.32 43.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -66.25 -26.0 67.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 -46.36 21.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.126 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' B' ' 37' ' ' THR . 1.6 p -59.53 -31.84 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.863 0.363 . . . . 0.0 111.196 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.16 -44.13 26.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.152 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.42 -57.18 14.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 35.8 m-85 -59.38 -44.65 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.436 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 33' ' ' VAL . 24.4 p -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.998 0.428 . . . . 0.0 110.278 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -56.78 -42.38 79.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.76 -52.1 66.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.585 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -46.8 87.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.46 -35.64 68.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.87 90.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.929 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -98.62 -179.41 4.3 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.25 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.735 0.302 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 45.3 mtm -68.81 -49.64 56.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 59.18 88.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.253 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -100.49 162.79 12.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 37.8 mm -78.77 -35.87 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -171.79 -55.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 71.2 m -166.02 120.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.67 0.271 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -77.23 -49.68 14.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.179 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 14.2 p 59.1 106.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -71.42 71.52 0.82 Allowed Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 588' ' ' TYR . . . . . 0.509 ' C ' HG23 ' C' ' 589' ' ' VAL . 8.8 t80 -51.75 151.21 3.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.876 0.37 . . . . 0.0 111.529 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.509 HG23 ' C ' ' C' ' 588' ' ' TYR . 2.4 t 71.39 121.35 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.098 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 590' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' C' ' 591' ' ' GLU . 89.7 Cg_endo -76.16 105.73 2.13 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.26 1.974 . . . . 0.0 113.36 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 591' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' C' ' 590' ' ' PRO . 39.8 mt-10 13.06 -81.23 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.48 -35.34 8.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 593' ' ' ILE . . . . . 0.432 HD13 ' CG2' ' A' ' 3' ' ' ILE . 20.9 mm -71.87 -27.72 28.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.772 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -79.86 -48.83 12.86 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -54.92 -45.27 74.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -67.31 -59.33 3.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.91 -37.92 21.2 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.51 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.531 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.563 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.437 ' O ' HG12 ' C' ' 604' ' ' VAL . . . -54.84 -47.01 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 601' ' ' VAL . . . . . 0.464 HG21 ' HG3' ' B' ' 14' ' ' GLN . 29.1 t -69.26 -42.95 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -65.9 -38.1 87.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.207 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.07 -57.09 5.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.437 HG12 ' O ' ' C' ' 600' ' ' ALA . 8.8 p -61.86 -27.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.43 . . . . 0.0 111.834 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 605' ' ' LYS . . . . . 0.503 ' CG ' HD13 ' B' ' 5' ' ' ILE . 1.0 OUTLIER -74.95 -48.77 22.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.55 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -57.99 -27.27 63.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.451 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -79.33 -54.52 5.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.96 -36.87 13.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 609' ' ' MET . . . . . 0.526 ' SD ' HD11 ' B' ' 5' ' ' ILE . 1.2 ptt? -70.34 -28.87 65.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.731 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 1.5 m -67.11 -38.32 85.43 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.94 -21.27 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.446 0.641 . . . . 0.0 109.404 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.705 ' HB3' HD12 ' B' ' 3' ' ' ILE . 2.0 mp -84.12 -44.65 13.8 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.615 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -65.07 -15.41 62.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.184 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -157.01 61.63 0.51 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.072 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -69.05 139.79 54.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -18.24 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 98.81 94.54 2.03 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 31.2 t -153.67 143.59 21.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.331 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 18.6 mmt 55.05 24.21 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.7 m -106.76 143.57 34.67 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 173.14 -36.81 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.331 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.0 mt -155.16 152.38 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.149 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.98 107.47 3.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.348 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.3 mm -42.07 100.92 0.23 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.618 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.05 114.49 1.42 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.599 2.2 . . . . 0.0 113.168 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.78 152.22 3.1 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.015 1.81 . . . . 0.0 111.966 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.91 -20.48 15.36 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.028 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -30.12 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.929 0.395 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -53.97 17.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.712 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -62.43 -26.83 68.71 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.093 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -44.7 62.05 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB2' HG21 ' C' ' 604' ' ' VAL . 91.0 mt -73.65 -31.24 63.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.995 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.491 ' N ' HG21 ' C' ' 604' ' ' VAL . 6.3 tt0 -62.32 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.644 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.52 87.53 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.353 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 48.2 t80 -71.03 -48.44 52.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.956 0.408 . . . . 0.0 110.978 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 20' ' ' VAL . 4.6 m -56.26 -59.81 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.375 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.23 -28.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.575 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.4 -34.77 63.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.709 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -66.13 -32.5 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.818 HD13 HG21 ' B' ' 3' ' ' ILE . 61.3 mt -75.35 -51.34 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.023 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -74.97 -22.65 58.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -93.84 -39.23 10.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.022 0.439 . . . . 0.0 110.734 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 58.39 75.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.55 163.68 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.084 2.522 . . . . 0.0 112.277 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.02 -30.8 2.04 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.526 2.151 . . . . 0.0 113.2 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -132.56 147.43 52.35 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.328 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -87.92 -39.72 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.457 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 30' ' ' GLU . 11.5 p -62.51 -42.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 29' ' ' VAL . 36.4 tt0 -74.47 -42.89 58.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.113 0.482 . . . . 0.0 110.163 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.48 -25.35 64.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.623 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.42 -49.38 42.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.758 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG21 HG22 ' B' ' 37' ' ' THR . 9.5 p -72.24 -29.21 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -78.89 -39.65 34.46 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.488 ' HD1' HG12 ' B' ' 29' ' ' VAL . 6.2 m-85 -76.23 -51.45 12.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -52.61 -45.02 66.39 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.796 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -56.57 -51.39 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.549 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HG ' HG11 ' B' ' 29' ' ' VAL . 13.8 tp -57.86 -55.76 30.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.32 -58.44 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.35 -21.38 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.142 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -48.01 -40.87 23.95 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -101.21 26.83 6.67 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.119 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 43' ' ' ARG . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 60.23 112.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.719 0.295 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 12.3 tpt -167.45 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 167.69 152.4 7.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.387 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 72.1 m -70.15 65.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.09 137.71 53.97 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 88.1 p -95.88 167.52 11.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.289 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' HIS . . . . . 0.741 ' C ' HD12 ' B' ' 3' ' ' ILE . 7.1 p-80 -176.39 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.986 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.818 HG21 HD13 ' A' ' 21' ' ' LEU . 4.7 mp -151.07 153.62 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.87 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.414 ' N ' HG22 ' B' ' 3' ' ' ILE . 8.3 mm100 -147.94 120.13 8.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 111.365 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.476 HD13 HD21 ' A' ' 21' ' ' LEU . 39.8 mm -61.08 113.58 8.23 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.945 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -48.83 111.32 0.45 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.979 1.786 . . . . 0.0 111.896 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -44.06 141.86 4.29 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.459 2.106 . . . . 0.0 113.031 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.86 36.4 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.539 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.58 ' O ' HD23 ' B' ' 9' ' ' LEU . 7.4 tt -65.0 -39.44 93.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.774 -0.25 . . . . 0.0 111.467 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -52.97 -47.27 68.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.66 -28.13 67.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -55.67 15.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.6 -33.96 72.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -49.27 64.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.55 -36.02 52.99 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.606 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -80.42 -51.23 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.2 m -54.03 -49.91 67.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.901 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' C' ' 597' ' ' ALA . 29.0 m -48.86 -33.52 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.88 0.371 . . . . 0.0 111.342 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -76.92 -32.05 57.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.23 -52.17 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.52 -37.42 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.747 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.519 ' HB3' HD12 ' C' ' 593' ' ' ILE . 0.0 OUTLIER -85.57 -24.39 27.24 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -104.48 -37.61 7.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.653 0.263 . . . . 0.0 111.637 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 57.63 84.22 0.21 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -87.81 171.59 5.88 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.109 2.539 . . . . 0.0 112.634 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.1 -33.52 9.41 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.466 2.11 . . . . 0.0 111.979 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.478 ' OD1' HG22 ' B' ' 29' ' ' VAL . 3.8 t0 -132.65 169.49 16.57 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.88 -40.87 6.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.002 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.497 HG11 ' HG ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -72.6 -40.3 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.51 -34.5 70.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.67 -28.98 61.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.972 0.415 . . . . 0.0 110.344 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.8 -49.7 13.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.406 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.776 ' O ' HG23 ' B' ' 37' ' ' THR . 14.4 m -50.86 -47.7 29.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.409 ' N ' HG23 ' B' ' 33' ' ' VAL . 50.1 mt-10 -65.91 -33.01 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -69.92 -44.51 69.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.673 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -77.75 -27.62 50.47 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.776 HG23 ' O ' ' B' ' 33' ' ' VAL . 74.0 p -72.9 -35.65 67.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.774 0.321 . . . . 0.0 110.708 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -69.05 -35.74 76.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.25 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.89 -55.83 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -58.81 -59.3 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.03 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.65 -35.2 41.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.165 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.551 ' O ' ' O ' ' B' ' 43' ' ' ARG . . . -75.93 -32.56 59.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.551 ' O ' ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER 37.38 -175.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.282 0.633 . . . . 0.0 112.438 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.103 -179.433 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.791 0.329 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -151.75 169.4 22.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -163.29 105.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -149.94 106.07 3.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.739 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 57.5 mt -123.09 -41.18 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 88.97 159.69 35.61 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.533 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 18.2 t -139.94 -46.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.775 0.321 . . . . 0.0 110.74 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 60.54 92.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 23.0 t -113.54 -170.97 1.8 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.72 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 587' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' C' ' 588' ' ' TYR . . . -63.6 -144.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.405 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 588' ' ' TYR . . . . . 0.56 ' CB ' ' O ' ' C' ' 587' ' ' GLY . 16.2 t80 111.88 145.89 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.399 1.079 . . . . 0.0 110.555 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.529 HG23 ' C ' ' C' ' 588' ' ' TYR . 2.4 t 72.15 109.92 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.476 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 590' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' C' ' 589' ' ' VAL . 76.1 Cg_exo -51.55 -162.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.508 2.139 . . . . 0.0 113.099 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -85.67 -81.68 0.2 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.174 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.97 -27.76 2.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.006 0.431 . . . . 0.0 111.907 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 593' ' ' ILE . . . . . 0.519 HD12 ' HB3' ' B' ' 22' ' ' ARG . 14.1 mm -68.38 -34.27 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.255 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -81.21 -44.68 17.44 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -58.19 -45.76 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.97 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.54 -57.9 5.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 597' ' ' ALA . . . . . 0.421 ' HB3' HG12 ' B' ' 18' ' ' VAL . . . -48.52 -30.4 5.2 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.09 -35.39 80.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.92 -44.01 94.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.384 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.28 67.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.41 -42.64 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -65.33 -36.91 85.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.782 0.325 . . . . 0.0 110.298 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.74 -57.58 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.298 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 13' ' ' LEU . 9.1 p -60.56 -27.42 40.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 605' ' ' LYS . . . . . 0.418 ' CD ' HG21 ' B' ' 5' ' ' ILE . 0.1 OUTLIER -75.29 -47.01 29.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.677 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -59.17 2.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.71 6.58 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 10.7 ptp -64.77 -30.95 71.97 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -39.12 77.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.48 -26.05 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.431 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -40.95 12.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -65.4 -13.36 58.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.941 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -166.09 62.29 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.938 0.399 . . . . 0.0 111.065 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.17 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -61.21 128.98 39.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.87 83.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.709 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 177.2 81.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.418 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 24.1 m -142.93 162.89 34.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -155.98 -50.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 34.4 t -172.75 81.26 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 111.364 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.824 ' O ' HD13 ' A' ' 3' ' ' ILE . 1.4 p-80 -159.12 115.83 2.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.089 0.471 . . . . 0.0 110.864 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.824 HD13 ' O ' ' A' ' 2' ' ' HIS . 6.8 mm -142.97 160.69 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.476 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -160.51 99.86 1.3 Allowed 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.515 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.5 mm -38.15 98.46 0.16 Allowed Pre-proline 0 N--CA 1.468 0.437 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.275 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.76 109.55 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.368 2.045 . . . . 0.0 112.508 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.71 153.88 1.18 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.36 2.04 . . . . 0.0 112.617 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.38 -22.49 12.79 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.131 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.26 -35.07 73.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.907 0.384 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' HG23 ' C' ' 604' ' ' VAL . 0.6 OUTLIER -65.73 -50.19 65.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.64 -33.75 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -47.86 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 111.663 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.174 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.815 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -60.09 -44.51 94.76 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.97 -45.05 72.31 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.383 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.0 t80 -71.88 -49.77 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 110.273 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -55.38 -59.49 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.331 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 14' ' ' GLN . 34.9 m -55.55 -29.81 25.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.575 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -79.07 -49.23 12.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 16' ' ' TYR . 77.2 t -49.22 -41.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.229 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.928 HD21 HD13 ' B' ' 5' ' ' ILE . 10.7 mp -73.81 -42.63 60.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -68.67 -23.31 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -111.41 -38.09 5.07 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 55.91 82.92 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.632 0.253 . . . . 0.0 110.359 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -89.94 170.6 4.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.121 2.547 . . . . 0.0 112.792 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.98 -33.51 6.04 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.413 2.076 . . . . 0.0 111.962 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -132.81 139.52 47.54 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.17 -47.47 43.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.723 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -55.56 -54.24 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.42 -50.14 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.75 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.73 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.4 -43.62 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.419 HG13 HG22 ' B' ' 37' ' ' THR . 94.8 t -65.61 -59.64 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -31.95 16.62 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.078 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.55 -54.39 6.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 9.9 m-85 -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.575 0.226 . . . . 0.0 111.426 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -70.68 -51.43 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -66.63 -29.46 69.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.08 -56.04 24.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.518 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -51.41 57.19 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.092 0.472 . . . . 0.0 110.516 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.34 -28.31 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.978 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.79 -45.39 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.641 0.257 . . . . 0.0 111.192 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -113.21 30.32 7.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.18 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -169.65 -46.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 17.4 ptp -171.69 -41.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 105.51 -127.04 8.84 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.569 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 59.0 p -160.54 29.16 0.16 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.645 0.222 . . . . 0.0 111.2 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 7.1 ptp 28.48 96.99 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 29.7 t -171.27 -152.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.66 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -166.68 -167.72 1.03 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.739 HD13 HD13 ' C' ' 612' ' ' LEU . 0.6 OUTLIER -169.24 178.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.736 -178.594 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.416 ' N ' HG23 ' B' ' 3' ' ' ILE . 0.0 OUTLIER -154.46 129.97 9.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.369 179.41 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.928 HD13 HD21 ' A' ' 21' ' ' LEU . 8.1 mm -74.6 115.58 45.15 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.371 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.62 161.46 1.28 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.04 1.826 . . . . 0.0 112.216 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -84.56 142.2 9.19 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.52 2.147 . . . . 0.0 112.545 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.76 -28.57 11.99 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.616 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.37 -44.18 72.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.527 0.203 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.6 m -51.21 -41.4 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 111.212 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.89 -48.84 64.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.93 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.76 -55.85 14.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.461 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.47 -38.3 83.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.153 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.594 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 9.0 tt0 -62.2 -40.12 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.37 -31.41 62.77 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.815 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.674 ' O ' HG23 ' B' ' 20' ' ' VAL . 68.3 t80 -79.67 -50.33 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 111.185 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.814 HG21 ' HB3' ' C' ' 600' ' ' ALA . 1.1 p -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -46.0 -41.66 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.408 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 13.4 pt-20 -79.37 -31.81 43.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.674 HG23 ' O ' ' B' ' 16' ' ' TYR . 67.8 t -63.61 -56.77 14.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.263 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -43.33 64.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.065 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -70.75 -23.89 62.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -106.21 -49.3 3.39 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 65.91 82.59 0.2 Allowed Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.436 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.27 168.8 11.57 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.63 2.22 . . . . 0.0 112.616 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.49 -32.71 7.61 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.421 2.081 . . . . 0.0 112.14 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.53 136.36 46.58 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.993 0.425 . . . . 0.0 110.948 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.2 mt -84.14 -27.88 27.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.213 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.72 -41.59 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.049 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.81 -56.12 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.48 -25.24 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.709 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.438 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.03 -38.11 45.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -61.57 -40.35 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.86 -46.75 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.408 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 83.5 t80 -57.18 -52.05 66.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -68.79 -49.68 56.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.629 HG23 ' O ' ' B' ' 33' ' ' VAL . 66.7 p -57.05 -40.57 77.04 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -54.94 -46.25 74.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.313 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.3 mt -72.29 -31.32 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.262 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -70.76 -38.75 73.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.376 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.29 -5.14 48.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.514 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.65 76.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.231 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.7 26.58 3.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.327 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.047 179.768 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 8.2 tpp -160.87 152.22 19.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.762 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.83 62.86 7.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -161.33 127.67 3.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 23.0 mt -142.11 -44.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 110.35 25.39 5.28 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.359 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 48.5 p -172.72 -46.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.749 0.309 . . . . 0.0 110.697 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 67.45 -64.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.329 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 25.4 p -174.6 112.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.737 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 172.48 54.7 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.577 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -93.38 21.88 5.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.973 0.416 . . . . 0.0 111.231 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.53 HG23 ' O ' ' C' ' 589' ' ' VAL . 26.8 m -97.36 121.82 57.47 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.865 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.34 57.59 1.29 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.961 1.774 . . . . 0.0 113.237 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 55.14 -80.69 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.3 -26.72 1.32 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.18 -28.23 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.594 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 46.4 t-105 -80.03 -45.71 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.119 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -56.9 -45.1 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.38 -55.84 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -37.86 19.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 111.2 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.27 -30.72 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.375 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -66.69 -45.2 79.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.297 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.814 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -55.83 -30.76 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.519 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 601' ' ' VAL . . . . . 0.47 HG12 ' CD ' ' C' ' 605' ' ' LYS . 30.5 t -83.28 -45.16 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -66.06 -38.42 88.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.879 0.371 . . . . 0.0 110.173 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.27 -57.19 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 10' ' ' THR . 7.1 p -59.88 -26.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.967 0.413 . . . . 0.0 112.062 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 605' ' ' LYS . . . . . 0.47 ' CD ' HG12 ' C' ' 601' ' ' VAL . 0.3 OUTLIER -75.12 -48.28 24.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.43 76.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.394 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 607' ' ' GLN . . . . . 0.47 ' O ' ' OG1' ' C' ' 610' ' ' THR . 17.0 pt20 -79.25 -48.18 14.62 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.88 -37.17 5.98 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.804 -0.56 . . . . 0.0 111.659 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 609' ' ' MET . . . . . 0.652 ' HA ' HD12 ' C' ' 612' ' ' LEU . 17.7 ptp -72.05 -32.28 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 610' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.6 OUTLIER -65.61 -34.28 77.86 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -23.17 66.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.739 HD13 HD13 ' B' ' 3' ' ' ILE . 7.0 mt -89.08 -43.76 10.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.394 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -61.46 -20.34 63.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.89 65.41 0.2 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.101 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.28 35.2 24.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.76 0.314 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 7.9 tpt 69.48 37.12 2.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.39 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -73.22 62.93 1.75 Allowed Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.589 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 13.7 t 57.56 94.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.661 0.267 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 45.9 ttp 62.13 128.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.319 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 74.4 m -88.69 67.42 8.38 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -145.44 119.43 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.804 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.456 HD13 HD13 ' C' ' 593' ' ' ILE . 27.6 mt -139.11 104.32 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.267 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -120.78 122.9 41.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.201 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.0 mm -45.78 102.59 0.31 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.847 -0.161 . . . . 0.0 110.608 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.73 164.16 1.63 Allowed 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.941 1.761 . . . . 0.0 112.481 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -92.5 157.28 2.99 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.828 2.352 . . . . 0.0 111.948 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -19.26 17.38 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.932 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.48 -47.51 72.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -50.79 72.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.526 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -36.9 77.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.309 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 12' ' ' LEU . 5.1 tp -74.36 -44.97 49.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 111.46 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' C' ' 604' ' ' VAL . 9.0 mp -72.39 -40.3 67.33 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -38.84 83.58 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.721 0.296 . . . . 0.0 110.507 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.87 -45.62 91.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.054 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -69.63 -48.51 59.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.9 m -55.81 -60.42 3.49 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.228 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.74 -26.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.695 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.6 -24.61 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.868 0.366 . . . . 0.0 110.742 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.86 -38.61 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.25 -35.72 71.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.697 0.284 . . . . 0.0 111.311 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -75.31 -29.99 60.2 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -106.99 -52.91 2.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.982 0.42 . . . . 0.0 110.898 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 58.3 57.71 6.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.96 170.16 20.74 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.339 2.026 . . . . 0.0 111.152 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.67 -7.95 22.19 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 122.383 2.055 . . . . 0.0 115.567 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -133.21 118.9 19.17 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.34 0.973 . . . . 0.0 112.003 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 mt -81.97 -39.29 23.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.456 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -37.31 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -70.97 -48.24 54.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.34 -54.68 10.47 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.336 0.589 . . . . 0.0 110.836 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB1' ' CG ' ' B' ' 36' ' ' PHE . . . -46.74 -46.61 20.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 37' ' ' THR . 95.4 t -68.15 -60.15 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.29 -32.02 23.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.13 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -78.78 -57.9 3.52 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -63.59 -28.22 69.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' CG2' ' B' ' 33' ' ' VAL . 40.8 p -71.6 -55.21 8.21 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.792 0.33 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -54.51 -52.01 63.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 tt -48.48 -56.39 8.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -60.52 -50.6 72.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.831 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -51.01 -29.43 12.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -54.89 -47.03 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.776 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -98.32 -178.26 3.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.688 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.375 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -59.67 -179.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 7.8 ttm -167.72 109.71 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 177.85 -150.67 10.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.438 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 4.0 m 60.29 -174.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.697 0.284 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 22.6 mmt 58.86 154.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.271 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' B' ' 2' ' ' HIS . 11.0 m -165.93 178.65 6.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' HIS . . . . . 0.531 ' CE1' ' CD ' ' B' ' 4' ' ' GLN . 6.5 t-80 163.03 -46.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.644 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 mt 74.72 93.54 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.467 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.531 ' CD ' ' CE1' ' B' ' 2' ' ' HIS . 10.1 pt20 -169.5 119.85 0.68 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.185 0.517 . . . . 0.0 110.881 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.547 HD11 ' SD ' ' C' ' 609' ' ' MET . 20.4 mm -51.51 108.08 0.98 Allowed Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.368 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -55.84 114.93 2.12 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.774 1.649 . . . . 0.0 111.94 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -44.48 122.01 3.61 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.275 1.984 . . . . 0.0 112.962 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.35 -31.08 8.88 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.116 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.407 ' C ' HD13 ' B' ' 9' ' ' LEU . 3.1 tm? -53.96 -42.99 69.53 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.721 -0.282 . . . . 0.0 110.806 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.4 m -52.86 -41.78 64.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.398 . . . . 0.0 111.04 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.74 -41.46 87.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.2 mm? -56.15 -53.25 59.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.64 0.257 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.72 -43.32 94.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 109.888 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.569 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 3.0 tt0 -62.57 -45.08 94.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.23 61.65 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.209 -0.52 . . . . 0.0 113.052 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -79.42 -46.64 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.489 HG21 ' HB3' ' C' ' 600' ' ' ALA . 5.8 m -54.39 -40.91 68.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -60.67 -28.01 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.806 0.336 . . . . 0.0 111.578 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.62 -47.43 17.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.256 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' B' ' 24' ' ' GLN . 38.1 t -50.75 -47.74 28.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.125 0.488 . . . . 0.0 110.17 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.02 -40.79 96.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.976 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -77.01 -28.18 54.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -107.96 -47.11 3.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 20' ' ' VAL . 26.9 mm-40 66.38 66.05 0.76 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.57 159.92 47.77 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.804 2.336 . . . . 0.0 112.447 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.77 -40.35 55.13 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.142 1.894 . . . . 0.0 111.906 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -132.6 130.92 40.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.36 -51.17 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.619 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -48.72 -33.17 4.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 121.052 0.453 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.47 -55.82 5.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.335 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.38 -25.64 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.92 23.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -55.0 -33.82 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.91 0.386 . . . . 0.0 111.06 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -78.29 -45.39 22.86 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.13 -48.03 81.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.476 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 44.0 m-85 -67.15 -39.03 86.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.528 0.204 . . . . 0.0 111.459 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.595 HG23 ' O ' ' B' ' 33' ' ' VAL . 32.7 p -65.75 -33.85 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.946 0.403 . . . . 0.0 110.486 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -59.87 -39.93 86.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.866 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 74.0 mt -68.47 -55.94 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.555 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -53.28 -54.47 35.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.841 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -59.35 -20.51 55.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.444 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' B' ' 39' ' ' LEU . . . -53.62 -27.16 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.827 0.346 . . . . 0.0 111.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.34 157.88 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.185 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.852 0.358 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 33.4 mtm -76.2 110.17 10.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -88.2 116.5 26.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -158.44 91.4 1.08 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.831 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 582' ' ' ILE . . . . . 0.694 HD13 ' N ' ' C' ' 583' ' ' GLY . 0.1 OUTLIER -137.86 126.47 32.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.844 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 583' ' ' GLY . . . . . 0.694 ' N ' HD13 ' C' ' 582' ' ' ILE . . . -69.23 -124.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.585 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 60.9 p -170.65 137.28 1.31 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -72.31 -57.51 4.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 11.8 p 59.71 173.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 587' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' C' ' 588' ' ' TYR . . . -173.41 -62.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.59 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 588' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' C' ' 587' ' ' GLY . 56.0 p90 168.9 27.55 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.694 0.398 . . . . 0.0 110.927 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.44 126.35 29.05 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.239 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.79 -169.55 0.57 Allowed 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.945 1.763 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.61 -71.02 0.31 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -48.55 -32.33 7.86 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 593' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 3' ' ' ILE . 12.7 mm -71.69 -27.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.569 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 56.5 t-105 -79.38 -45.81 18.8 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.723 0.297 . . . . 0.0 111.355 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -57.03 -46.22 82.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -67.53 -59.87 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.2 -36.08 18.84 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -38.9 89.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -61.03 -43.5 98.79 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.489 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.91 -43.71 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 601' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' C' ' 605' ' ' LYS . 15.2 t -72.47 -41.7 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.89 -45.21 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.674 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.96 -54.33 32.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 13' ' ' LEU . 2.5 p -67.65 -27.16 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 605' ' ' LYS . . . . . 0.532 ' CG ' HD12 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -75.29 -52.33 11.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.944 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -24.06 62.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.936 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.47 -50.76 11.07 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.24 -29.3 2.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.331 0.514 . . . . 0.0 112.324 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 609' ' ' MET . . . . . 0.547 ' SD ' HD11 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -66.03 -32.56 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.315 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 3.1 m -66.02 -40.26 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -62.39 -26.03 68.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.308 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.05 -26.21 21.53 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.78 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.34 12.8 3.32 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.552 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -144.74 31.12 1.17 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.937 0.399 . . . . 0.0 110.718 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.104 179.873 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.34 38.16 25.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.328 . . . . 0.0 111.188 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.0 141.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.807 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -96.55 -49.74 1.94 Allowed Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.0 p 70.64 9.86 6.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -177.03 51.86 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 28.1 p -173.6 -43.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -131.62 97.57 4.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.073 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.9 mt -136.88 78.14 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.099 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -109.9 129.73 55.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.508 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.553 HD13 HD11 ' B' ' 21' ' ' LEU . 24.8 mm -46.84 103.71 0.37 Allowed Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.413 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -53.9 117.34 3.76 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.242 1.961 . . . . 0.0 112.647 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -47.34 146.22 7.33 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.746 1.631 . . . . 0.0 111.814 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.67 -24.3 10.8 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.223 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.22 -53.83 44.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 117.051 0.426 . . . . 0.0 111.049 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -40.16 65.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.14 -34.83 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.82 -44.51 69.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.49 -27.28 64.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 18' ' ' VAL . 2.1 tt0 -65.72 -43.88 87.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.13 70.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.806 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -68.31 -46.15 71.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -56.74 -59.8 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 14' ' ' GLN . 33.3 m -54.86 -34.47 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.53 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.98 -31.76 68.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.52 -38.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.761 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.4 mt -73.48 -30.23 63.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -85.28 -25.73 27.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -112.03 -43.66 3.55 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 63.83 75.01 0.4 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.698 0.285 . . . . 0.0 110.486 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.37 166.66 27.15 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.554 2.169 . . . . 0.0 112.379 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.95 -35.04 12.79 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.415 2.077 . . . . 0.0 112.421 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -132.82 145.37 50.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 111.149 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -82.7 -48.01 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.32 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 30' ' ' GLU . 12.7 p -58.4 -44.98 89.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 29' ' ' VAL . 25.1 tt0 -63.99 -47.94 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.59 -29.5 70.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.749 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.07 85.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.98 -59.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.67 -34.2 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.852 0.358 . . . . 0.0 110.745 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -78.19 -53.62 7.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.709 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -67.12 -48.98 66.44 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 p -52.83 -54.73 30.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.89 0.376 . . . . 0.0 110.813 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -34.28 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.691 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.56 -56.17 25.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.358 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -59.27 -44.99 92.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.027 0.441 . . . . 0.0 111.005 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -66.49 -28.02 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.44 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.39 87.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.99 143.02 26.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.13 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -94.29 21.57 6.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.553 0.216 . . . . 0.0 111.398 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 7.1 ptp -107.63 -28.39 9.77 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.774 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -169.29 155.05 24.98 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.406 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 80.2 p -68.16 -81.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -101.56 -72.22 0.69 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.618 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 79.1 p -170.3 -71.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.188 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -178.34 132.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mt 68.03 85.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.067 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.44 119.86 0.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.237 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.9 mp -50.5 107.87 0.9 Allowed Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.649 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.78 175.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.159 1.906 . . . . 0.0 112.468 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.3 109.02 1.37 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.881 2.387 . . . . 0.0 112.309 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.83 -36.91 3.29 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.964 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.447 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.9 tt -46.61 -49.06 19.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.428 HG23 HG11 ' C' ' 601' ' ' VAL . 25.9 m -49.92 -38.76 37.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 110.116 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.21 -36.89 85.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.333 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.79 -55.24 15.8 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.683 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.17 -34.39 73.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.354 0.597 . . . . 0.0 109.577 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.456 ' HB2' HG21 ' C' ' 601' ' ' VAL . 0.6 OUTLIER -72.9 -45.73 56.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.204 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.18 -28.49 54.42 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.47 ' O ' HG23 ' B' ' 20' ' ' VAL . 48.1 t80 -79.86 -45.83 17.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.366 . . . . 0.0 111.273 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.638 HG21 ' HB3' ' C' ' 600' ' ' ALA . 6.2 p -54.31 -55.45 28.19 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -46.06 -34.8 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.889 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -79.48 -48.56 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.439 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 16' ' ' TYR . 82.7 t -54.23 -53.77 26.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.553 HD11 HD13 ' A' ' 5' ' ' ILE . 2.1 mm? -56.11 -42.99 77.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.123 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.491 ' NH1' ' CZ ' ' C' ' 588' ' ' TYR . 2.4 tmm_? -85.45 -22.98 28.04 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -95.08 -38.69 10.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 0.0 111.059 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 55.61 80.32 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.704 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -85.03 163.92 11.59 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.739 2.293 . . . . 0.0 112.713 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.43 -37.65 4.12 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.335 2.023 . . . . 0.0 111.849 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -132.6 136.61 46.64 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 mt -75.74 -42.49 50.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.11 -40.86 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -75.69 -40.43 55.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -71.64 -29.02 64.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.86 -52.6 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.665 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.648 ' O ' ' OG1' ' B' ' 37' ' ' THR . 6.1 p -51.73 -50.28 32.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.432 ' N ' HG13 ' B' ' 33' ' ' VAL . 82.1 mt-10 -59.63 -39.42 84.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -62.48 -48.53 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -75.79 -46.82 28.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.648 ' OG1' ' O ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER -62.16 -26.37 68.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 111.194 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -39.31 37.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.202 0.525 . . . . 0.0 109.872 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.89 -49.07 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.344 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -47.82 -41.09 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.744 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.01 -7.52 49.26 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.74 74.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.708 0.289 . . . . 0.0 111.516 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -61.14 171.18 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.155 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 43' ' ' ARG . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.668 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.708 0.29 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -165.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.633 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -97.28 39.11 1.2 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 581' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' C' ' 582' ' ' ILE . 22.6 t70 -156.58 139.03 14.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.711 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 582' ' ' ILE . . . . . 0.584 ' O ' HG23 ' C' ' 582' ' ' ILE . 4.9 tp 29.38 105.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 121.531 0.681 . . . . 0.0 112.704 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -76.57 -123.38 0.19 Allowed Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.592 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 50.6 m -156.48 73.96 0.81 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.89 0.376 . . . . 0.0 110.671 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -60.48 84.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.293 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 74.3 m -167.61 89.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -85.54 -169.68 46.23 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.023 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 588' ' ' TYR . . . . . 0.657 ' O ' ' CG ' ' C' ' 588' ' ' TYR . 3.6 t80 166.18 34.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.441 0.639 . . . . 0.0 110.271 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.709 HG23 ' O ' ' C' ' 589' ' ' VAL . 24.2 m -101.43 99.11 10.47 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.614 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.36 -170.12 0.1 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 121.136 1.224 . . . . 0.0 111.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.73 -88.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.4 -28.69 3.39 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 593' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' B' ' 22' ' ' ARG . 35.2 mm -74.68 -28.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.466 0.174 . . . . 0.0 111.459 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -79.96 -47.26 15.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -55.51 -43.07 75.34 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.17 -59.58 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.31 -42.92 42.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -30.77 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.009 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -40.62 90.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.638 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -56.77 -31.97 65.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.693 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 601' ' ' VAL . . . . . 0.456 HG21 ' HB2' ' B' ' 14' ' ' GLN . 15.8 t -82.98 -42.88 18.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 109.979 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -75.64 -56.23 4.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.452 HG12 ' O ' ' C' ' 600' ' ' ALA . 9.7 p -63.63 -27.81 43.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -44.1 43.35 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.248 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -63.19 -26.5 68.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -55.62 5.09 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.99 -32.81 2.97 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -64.16 -31.48 72.69 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.353 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 94.0 m -66.84 -37.63 84.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' C' ' 615' ' ' ALA . 30.2 tp10 -58.92 -25.68 63.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.271 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.37 -56.28 3.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.173 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -56.9 -21.16 27.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.712 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -163.2 68.2 0.2 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.907 0.384 . . . . 0.0 111.113 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 615' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' C' ' 611' ' ' GLU . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 60.11 156.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.82 -80.0 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.596 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 161.22 159.29 9.91 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.65 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 14.9 t -170.72 71.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 12.9 ptp -169.21 -175.77 2.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.5 m -68.15 67.89 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.945 0.402 . . . . 0.0 111.03 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -149.57 119.14 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.827 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mt -145.18 146.88 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.725 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.48 129.17 4.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.524 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' HG3' ' C' ' 596' ' ' LYS . 1.0 OUTLIER -47.72 108.58 0.92 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.58 110.31 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.549 2.166 . . . . 0.0 112.83 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.33 151.99 2.54 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.131 1.888 . . . . 0.0 111.847 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -21.94 4.0 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.024 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.09 -43.62 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.988 0.394 . . . . 0.0 111.343 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.91 -41.99 64.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.06 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.63 -34.6 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.37 -45.18 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' HB3' HG11 ' C' ' 604' ' ' VAL . 7.3 mp -70.15 -32.7 70.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.603 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 18' ' ' VAL . 2.8 tt0 -58.24 -45.12 88.33 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -44.72 68.08 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.138 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -72.49 -47.07 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -57.33 -59.87 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 14' ' ' GLN . 27.0 m -49.84 -26.12 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.2 -34.81 59.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -36.65 78.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.443 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD11 HD13 ' B' ' 5' ' ' ILE . 4.5 mp -72.79 -40.91 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.188 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -82.17 -23.03 35.76 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.87 -52.23 2.79 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 66.56 87.63 0.12 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.235 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -93.53 164.5 2.34 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.393 2.729 . . . . 0.0 112.954 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -82.1 -26.32 2.94 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.572 2.182 . . . . 0.0 112.562 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.39 137.68 47.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.021 0.439 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.19 -51.3 10.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.265 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 30' ' ' GLU . 9.3 p -56.83 -41.79 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.595 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 29' ' ' VAL . 56.8 mt-10 -68.79 -49.38 59.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 0.0 110.752 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -63.05 -25.21 68.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.748 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.07 -44.4 26.41 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 37' ' ' THR . 2.4 p -72.14 -34.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.87 -34.34 77.57 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.136 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -78.88 -46.85 17.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.73 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.67 -48.93 67.79 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.466 HG22 ' CG1' ' B' ' 33' ' ' VAL . 40.8 p -53.0 -55.12 26.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -46.69 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.36 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tt -48.48 -56.25 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.701 0.286 . . . . 0.0 111.126 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -62.5 -49.38 75.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.05 -25.76 68.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.833 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.18 78.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.349 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -61.46 108.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.192 -0.909 . . . . 0.0 111.392 179.563 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.26 177.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.81 94.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -80.02 140.83 22.72 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 66.4 m -67.95 147.87 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 9.5 ptm -168.7 159.44 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 4.6 m 71.92 3.63 4.74 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.56 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.03 -167.59 1.99 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 mm 72.95 66.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 110.723 -178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -162.34 122.36 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.25 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 21' ' ' LEU . 8.4 mm -67.89 114.85 22.7 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.078 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.14 112.73 0.78 Allowed 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.013 1.808 . . . . 0.0 112.14 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.8 98.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.427 2.085 . . . . 0.0 113.029 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.66 -29.54 2.12 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.64 -40.12 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.444 0.164 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.418 HG23 ' HE3' ' C' ' 605' ' ' LYS . 15.2 m -52.13 -44.01 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.599 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.23 -39.78 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.548 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.47 -57.59 12.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.931 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.32 -34.55 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.017 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.548 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 1.3 tm0? -70.65 -33.34 70.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.245 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.426 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -68.03 -32.44 76.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.307 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -80.25 -45.76 17.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.794 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.603 HG22 HD23 ' B' ' 21' ' ' LEU . 2.1 m -59.16 -32.37 69.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 15' ' ' GLY . 3.4 m -59.6 -25.95 33.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -77.99 -53.82 6.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' B' ' 17' ' ' THR . 30.0 m -55.95 -40.43 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 121.044 0.45 . . . . 0.0 110.405 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.603 HD23 HG22 ' B' ' 17' ' ' THR . 2.4 mm? -59.02 -40.88 86.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.351 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -72.18 -44.27 63.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -105.22 -46.02 4.35 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 20' ' ' VAL . 5.6 mm-40 73.46 73.47 0.23 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.094 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.73 170.57 9.77 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.545 2.163 . . . . 0.0 112.839 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.05 -30.01 7.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.684 2.256 . . . . 0.0 112.522 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.4 131.73 42.1 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.116 0.484 . . . . 0.0 111.126 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.28 -48.55 15.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.756 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.418 ' O ' HG23 ' B' ' 33' ' ' VAL . 12.3 p -59.16 -41.03 82.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -66.31 -56.33 11.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.94 0.4 . . . . 0.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.92 -25.08 56.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.989 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.78 34.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.488 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -57.37 -59.44 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.932 -179.339 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -52.93 -40.33 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.624 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -63.01 -49.59 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.53 -25.37 65.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.5 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.488 HG23 ' O ' ' B' ' 33' ' ' VAL . 71.8 p -77.08 -40.75 44.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.055 0.455 . . . . 0.0 110.207 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -57.17 -43.41 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.28 -49.52 73.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.713 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -64.52 -41.97 96.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.751 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.58 -18.62 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.321 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.64 -40.26 65.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 111.455 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 143.68 34.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.214 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 578' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' C' ' 580' ' ' ALA . . . . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.643 0.258 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 32.2 mmt 57.6 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.064 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 580' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' C' ' 578' ' ' ALA . . . -142.33 56.86 1.45 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.961 0.41 . . . . 0.0 110.718 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.49 138.4 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.71 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 48.1 mt -82.55 106.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.64 -166.81 11.96 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.138 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 584' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' C' ' 585' ' ' ALA . 47.1 m -169.28 177.19 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.754 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 585' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' C' ' 584' ' ' SER . . . 68.99 12.35 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.762 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 3.3 m 179.72 94.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.663 0.268 . . . . 0.0 110.792 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 169.94 119.89 0.51 Allowed Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.937 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 1.1 p90 169.04 26.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.706 0.288 . . . . 0.0 111.301 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.534 HG21 ' HE3' ' C' ' 594' ' ' TRP . 25.1 m -112.43 119.65 43.1 Favored Pre-proline 0 N--CA 1.466 0.363 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.09 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.67 -170.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.324 1.349 . . . . 0.0 111.447 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.89 -41.31 44.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.53 -30.63 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.76 -27.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.548 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 61.7 t-105 -79.47 -43.8 22.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.124 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -58.6 -45.03 90.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.401 ' HG3' HD12 ' A' ' 5' ' ' ILE . 9.2 tptt -63.85 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -33.47 10.22 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -65.27 -34.09 77.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.678 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -45.79 74.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.5 -33.61 55.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 601' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 65.7 t -83.16 -41.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.93 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.905 0.383 . . . . 0.0 110.16 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.91 -55.82 12.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 13' ' ' LEU . 11.3 p -61.98 -26.41 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 605' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 2.1 ttmm -71.59 -51.84 21.22 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.477 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -27.04 67.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.592 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -79.33 -55.5 5.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.238 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.8 -34.92 9.24 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.819 -0.551 . . . . 0.0 111.986 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 6.1 ptm -65.74 -33.75 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -39.76 77.4 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.22 -26.61 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.392 0.615 . . . . 0.0 110.025 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -37.5 14.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.722 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.95 -11.83 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 38.03 1.83 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.812 0.339 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.056 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.58 105.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.607 0.242 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.32 32.77 16.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.104 0.478 . . . . 0.0 110.053 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -87.3 -75.23 1.27 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.65 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' -2' ' ' MET . 6.4 m 61.53 29.54 18.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.588 0.233 . . . . 0.0 111.172 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -2' ' ' MET . . . . . 0.412 ' O ' ' O ' ' A' ' -3' ' ' SER . 0.0 OUTLIER 58.82 141.06 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.4 m -165.02 -169.75 1.75 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.772 ' O ' HD13 ' A' ' 3' ' ' ILE . 4.5 t60 -140.69 78.2 1.64 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.128 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 2' ' ' HIS . 11.2 mm -144.48 -59.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 61.97 99.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.125 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.3 mm -50.18 105.94 0.58 Allowed Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.764 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -52.7 152.15 17.6 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.233 1.955 . . . . 0.0 112.502 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.45 149.83 16.88 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.443 2.095 . . . . 0.0 111.95 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.67 -21.71 7.29 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.37 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -46.48 81.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.773 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -57.68 -41.56 81.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.38 -30.93 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.517 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.68 62.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 111.295 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.62 -30.15 66.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.566 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.7 tt0 -64.39 -42.96 95.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.4 -45.49 75.47 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.877 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.827 ' O ' HG23 ' A' ' 20' ' ' VAL . 50.0 t80 -70.47 -48.53 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 111.034 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -52.91 -59.93 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 14' ' ' GLN . 26.9 m -54.2 -30.85 21.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -78.48 -42.71 28.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.532 0.206 . . . . 0.0 111.262 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 16' ' ' TYR . 25.4 t -54.22 -41.62 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.27 -37.48 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.235 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -60.24 -34.08 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -112.49 -27.54 8.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 55.06 82.88 0.23 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.491 0.186 . . . . 0.0 110.578 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.29 169.7 13.97 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.586 2.19 . . . . 0.0 112.59 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.35 -31.64 8.97 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.53 2.153 . . . . 0.0 112.269 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -132.62 141.35 48.62 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.14 0.495 . . . . 0.0 110.944 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mt -86.11 -30.41 22.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG22 ' HG2' ' B' ' 40' ' ' ARG . 7.4 p -72.51 -41.59 63.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.49 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 29' ' ' VAL . 10.5 tm-20 -70.42 -56.08 7.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.733 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.75 -25.44 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.697 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.19 -41.86 69.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.35 -59.22 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.03 -33.63 11.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.821 0.343 . . . . 0.0 111.309 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -78.51 -48.55 15.08 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.77 -48.48 37.94 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -52.89 -51.53 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 111.109 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -54.38 -53.05 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -56.02 9.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.491 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HG2' ' CG1' ' B' ' 29' ' ' VAL . 0.4 OUTLIER -68.79 -51.57 39.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.86 0.362 . . . . 0.0 111.093 -179.684 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.87 -19.38 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.94 49.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -64.77 118.95 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.03 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.473 179.461 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 60.88 152.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.183 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -51.83 9.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 73.41 42.15 42.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.519 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 15.3 t 58.04 93.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.756 0.312 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 17.5 ptp -100.64 -29.66 12.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.23 110.3 20.08 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.702 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.14 26.22 10.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.635 HG21 HD13 ' C' ' 612' ' ' LEU . 4.6 mp -78.32 150.65 5.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -145.02 144.66 31.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.788 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -74.76 116.56 54.81 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.353 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.05 165.13 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.351 2.034 . . . . 0.0 112.032 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -82.11 103.12 1.28 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.458 2.105 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.25 2.16 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.416 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.26 -46.73 36.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.58 0.229 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 m -54.53 -46.63 73.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.414 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.0 -37.63 88.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.463 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.1 mm? -62.47 -48.46 79.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.27 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.12 -28.37 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.93 -43.24 75.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.32 -31.42 69.79 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.217 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -79.39 -49.23 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.766 0.317 . . . . 0.0 111.387 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.483 HG21 ' HB3' ' C' ' 600' ' ' ALA . 2.7 p -52.23 -58.45 6.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.695 0.283 . . . . 0.0 111.661 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.77 -40.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.412 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 15.5 pt-20 -79.05 -33.11 45.0 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.041 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' B' ' 24' ' ' GLN . 24.9 t -62.14 -51.96 66.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.059 0.457 . . . . 0.0 110.005 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 3' ' ' ILE . 3.3 mm? -55.12 -50.4 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -68.94 -23.47 64.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.23 -45.33 3.95 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 20' ' ' VAL . 53.1 mm-40 63.71 86.51 0.14 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.133 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -86.22 166.48 9.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.74 2.293 . . . . 0.0 112.891 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.41 -38.33 4.74 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.331 2.02 . . . . 0.0 111.471 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -132.54 131.9 42.03 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.337 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.69 -23.33 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.57 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.544 ' CG1' ' HG2' ' A' ' 40' ' ' ARG . 5.2 t -70.36 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 111.366 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.09 -44.35 80.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.721 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -55.86 -27.35 51.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.738 0.304 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.77 -34.69 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.188 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.35 -56.8 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 110.528 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -57.47 -33.73 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.412 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 78.4 t80 -71.82 -50.23 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -71.07 -24.81 62.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -82.3 -34.94 28.43 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.88 71.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.118 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -47.25 20.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.255 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.427 ' HG2' HG22 ' A' ' 29' ' ' VAL . 4.4 mmm180 -53.88 -61.33 2.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -50.3 -33.26 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.307 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.558 ' O ' ' O ' ' B' ' 43' ' ' ARG . . . -70.98 -38.22 72.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.581 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.558 ' O ' ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER 35.93 -174.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.428 179.778 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.322 -179.629 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.872 0.368 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 2.9 tpt 62.22 157.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -57.35 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.995 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 1.2 t70 70.88 -168.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.592 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 29.8 mt 67.05 -65.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.33 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 173.14 -155.61 22.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 60.1 p -70.08 -46.32 65.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 55.75 71.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.236 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 18.6 p 50.48 74.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.323 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 157.31 103.11 0.2 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.795 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 588' ' ' TYR . . . . . 0.482 ' C ' HG13 ' C' ' 589' ' ' VAL . 5.6 t80 -43.93 151.86 0.2 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.473 0.178 . . . . 0.0 111.145 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.482 HG13 ' C ' ' C' ' 588' ' ' TYR . 0.8 OUTLIER 62.77 136.15 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.267 -179.062 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 590' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' C' ' 591' ' ' GLU . 95.7 Cg_endo -75.7 106.7 2.32 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.308 2.005 . . . . 0.0 113.228 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 591' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' C' ' 590' ' ' PRO . 29.4 mm-40 11.34 -77.8 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 592' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' C' ' 590' ' ' PRO . 67.1 mt-10 -45.4 -29.47 1.09 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -178.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 593' ' ' ILE . . . . . 0.619 HD13 HD12 ' A' ' 3' ' ' ILE . 8.1 mm -74.91 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.604 0.24 . . . . 0.0 110.749 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.533 ' CD2' ' OE2' ' C' ' 598' ' ' GLU . 51.1 t-105 -79.59 -50.53 10.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.738 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.44 -44.05 75.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.816 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -54.88 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.78 -37.75 19.96 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.008 -0.432 . . . . 0.0 111.5 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 598' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -67.22 -34.84 78.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.126 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.483 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -56.58 -28.58 60.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 12.9 t -83.29 -44.86 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.923 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -64.91 -33.75 76.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -55.99 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.481 HG12 ' O ' ' C' ' 600' ' ' ALA . 7.5 p -63.35 -29.32 46.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -44.2 41.9 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -60.55 -26.66 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -54.08 6.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.98 -36.9 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.993 -0.442 . . . . 0.0 112.181 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 609' ' ' MET . . . . . 0.558 ' HA ' HD12 ' C' ' 612' ' ' LEU . 14.0 ptp -67.8 -35.53 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.71 78.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.27 -27.82 69.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.717 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 612' ' ' LEU . . . . . 0.635 HD13 HG21 ' B' ' 3' ' ' ILE . 10.0 mt -84.29 -31.59 24.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.249 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.73 -11.07 59.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.939 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -126.0 31.67 5.41 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.875 0.369 . . . . 0.0 110.815 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.003 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -168.83 94.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 14.4 mmt -142.25 102.98 4.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.62 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -170.19 -49.41 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.542 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.2 p 79.33 -51.61 0.42 Allowed 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 122.344 0.258 . . . . 0.0 111.245 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 28.3 mtm 59.9 102.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 91.8 p -78.69 90.19 4.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 175.9 -58.65 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.964 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mt -140.21 155.01 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.211 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -157.86 112.92 2.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -45.57 106.13 0.53 Allowed Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.901 179.444 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.17 119.64 5.68 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.355 2.037 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.98 147.39 3.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.955 1.77 . . . . 0.0 111.802 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.67 24.96 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.804 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.437 HD21 HG23 ' B' ' 17' ' ' THR . 0.5 OUTLIER -60.23 -37.71 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -65.2 -47.31 77.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.57 -29.57 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.69 -39.99 66.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.7 0.286 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.0 mt -75.94 -29.4 58.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.752 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -47.15 78.16 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.379 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.64 -42.71 67.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.749 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.832 ' O ' HG23 ' A' ' 20' ' ' VAL . 45.4 t80 -73.45 -48.04 36.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.7 m -51.37 -59.74 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.766 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 p -57.12 -31.78 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.862 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' OE1' ' CZ ' ' A' ' 31' ' ' PHE . 3.7 tt0 -73.82 -45.06 53.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 16' ' ' TYR . 41.6 t -53.84 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.49 -34.9 60.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.822 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -68.79 -34.51 75.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -104.14 -29.61 10.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 56.97 82.55 0.24 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.765 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -84.99 162.62 11.74 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.59 -27.32 6.3 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.464 2.109 . . . . 0.0 112.062 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -132.43 137.35 47.26 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -83.25 -37.18 23.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.66 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 30' ' ' GLU . 9.0 p -65.4 -42.13 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.534 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 29' ' ' VAL . 7.8 tp10 -73.31 -50.16 23.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.06 0.457 . . . . 0.0 110.776 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' CZ ' ' OE1' ' A' ' 19' ' ' GLU . 43.1 t80 -59.25 -25.05 63.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.376 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -74.94 -44.59 47.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -28.78 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.18 -33.6 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -78.76 -38.9 37.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.78 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.9 -52.63 9.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.4 p -52.76 -55.07 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.263 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -49.96 -52.04 36.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.36 -55.51 10.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.347 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -62.98 -57.28 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.832 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -54.06 -23.07 12.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.523 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.22 -33.37 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.85 0.357 . . . . 0.0 111.303 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.39 158.2 24.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.233 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 59.8 43.58 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.692 0.282 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 3.4 mmt 61.71 52.45 3.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.164 0.507 . . . . 0.0 110.145 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -54.72 117.44 8.02 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.649 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 13.6 t -68.54 76.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 111.162 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 84.3 mtp 55.81 167.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.37 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.3 t -92.84 106.97 18.85 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.703 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' HIS . . . . . 0.505 ' H ' HD12 ' B' ' 3' ' ' ILE . 0.3 OUTLIER 174.5 38.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.019 179.586 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.505 HD12 ' H ' ' B' ' 2' ' ' HIS . 3.3 mp -68.79 150.61 10.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.192 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -141.24 134.61 29.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.603 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 43.3 mm -66.11 114.47 16.82 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.18 -179.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.036 1.824 . . . . 0.0 111.766 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -92.25 116.46 0.38 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.788 2.325 . . . . 0.0 112.732 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.62 6.66 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.966 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -47.71 -50.21 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.512 0.196 . . . . 0.0 111.192 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.9 m -54.41 -46.35 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.365 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.45 -41.05 96.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.117 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.0 mm? -60.42 -57.44 12.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.517 0.199 . . . . 0.0 111.292 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.46 -32.94 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.72 -45.17 60.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.888 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' HG12 ' B' ' 18' ' ' VAL . . . -56.16 -35.72 65.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.784 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 63.0 t80 -79.87 -45.25 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.437 HG23 HD21 ' A' ' 9' ' ' LEU . 89.0 m -58.14 -37.78 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.182 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 15' ' ' GLY . 0.3 OUTLIER -62.47 -29.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.84 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.11 -43.37 24.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.36 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' GLN . 21.5 t -57.8 -41.09 78.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.228 0.537 . . . . 0.0 110.29 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' C' ' 597' ' ' ALA . 11.3 mt -61.15 -49.49 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.384 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -67.9 -27.81 66.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -109.57 -51.82 2.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 20' ' ' VAL . 44.9 mt-30 66.05 86.5 0.13 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.288 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' B' ' 20' ' ' VAL . 63.6 Cg_endo -86.32 173.7 6.46 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.933 2.422 . . . . 0.0 112.549 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.42 -27.58 11.07 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.429 2.086 . . . . 0.0 112.407 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.5 138.59 47.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.151 0.5 . . . . 0.0 110.831 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -83.66 -38.42 21.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.235 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.38 -39.5 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.654 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -70.88 -56.45 6.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.84 0.352 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -56.77 -25.02 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.416 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -74.22 -41.67 60.99 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.502 ' O ' HG23 ' B' ' 37' ' ' THR . 53.3 t -60.27 -59.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -50.9 -33.11 22.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -68.73 -49.73 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.22 -36.04 69.03 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.439 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.502 HG23 ' O ' ' B' ' 33' ' ' VAL . 58.7 p -63.71 -43.53 96.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.228 0.537 . . . . 0.0 109.972 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -40.6 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.25 -53.47 10.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -56.28 -42.36 77.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.588 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.61 -12.45 58.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.633 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.81 -53.38 53.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 167.94 20.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.554 179.491 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.903 0.383 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 18.8 mtm -73.13 -49.29 29.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 61.55 117.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 581' ' ' ASP . . . . . 0.538 ' H ' HD12 ' C' ' 582' ' ' ILE . 17.9 t70 -134.13 51.15 2.14 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 582' ' ' ILE . . . . . 0.538 HD12 ' H ' ' C' ' 581' ' ' ASP . 4.1 mp -139.49 -55.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 59.54 85.6 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.58 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 86.1 p -171.24 128.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -165.96 29.74 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.331 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 24.6 m -86.58 -45.07 11.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.895 0.378 . . . . 0.0 110.738 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 171.2 153.93 9.35 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.15 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -94.25 19.69 9.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.853 0.359 . . . . 0.0 111.414 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 2.3 m -96.92 119.44 63.53 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.919 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 590' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' C' ' 592' ' ' GLU . 59.1 Cg_endo -68.92 56.52 1.04 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.155 1.903 . . . . 0.0 113.508 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 54.64 -78.63 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 592' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' C' ' 590' ' ' PRO . 6.6 mp0 -47.58 -26.76 1.56 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.48 -28.64 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -80.12 -46.57 16.21 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.776 0.322 . . . . 0.0 111.585 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -57.03 -43.78 82.27 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -66.73 -59.6 3.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 597' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' B' ' 21' ' ' LEU . . . -49.14 -36.34 18.88 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.65 -34.39 77.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.556 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.13 -46.58 73.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.558 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.76 43.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.5 t -74.42 -37.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.7 -39.46 94.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.63 -56.49 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -26.87 38.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -75.05 -47.79 27.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.139 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -62.49 -23.96 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -79.34 -58.95 2.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.438 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.92 -31.33 2.13 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 14.5 ptp -72.45 -33.14 66.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.655 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -48.49 71.86 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.0 -20.39 57.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.117 0.484 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.21 -44.07 10.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -56.46 -19.65 16.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.227 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.57 17.46 10.1 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.778 0.323 . . . . 0.0 111.451 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.698 -179.757 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.35 39.26 25.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 10.0 tpt -169.1 -48.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 90.28 -15.92 58.7 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.769 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 45.6 t 55.43 23.59 5.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.725 0.297 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 19.4 ttt -170.84 135.1 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 98.5 p -66.42 166.63 12.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -160.1 115.18 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' B' ' 21' ' ' LEU . 6.2 tt -163.44 152.71 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.338 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -151.33 125.47 9.29 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.705 HD13 HD11 ' B' ' 21' ' ' LEU . 39.8 mm -49.58 108.01 0.9 Allowed Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -52.39 163.91 1.53 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.111 1.874 . . . . 0.0 112.873 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -93.18 149.08 2.49 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.959 2.44 . . . . 0.0 111.376 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.17 17.61 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.59 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.788 HD12 HD11 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -49.28 -60.46 2.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 111.147 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -48.62 -45.74 38.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.687 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.49 -35.76 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.71 -44.05 51.98 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.66 ' HB2' HG21 ' C' ' 604' ' ' VAL . 11.9 mt -71.81 -34.89 69.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.704 0.288 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.535 ' N ' HG21 ' C' ' 604' ' ' VAL . 0.2 OUTLIER -59.89 -41.34 91.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.105 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.42 -45.6 83.2 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.325 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -70.19 -47.82 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.809 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -55.41 -57.97 9.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.099 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.97 -33.39 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.499 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.72 -42.84 39.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.908 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 24' ' ' GLN . 15.2 t -54.95 -39.33 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.631 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.36 -42.36 59.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -66.19 -23.2 66.41 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -112.87 -44.83 3.25 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . 29.7 mm-40 63.56 79.13 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.47 172.38 9.3 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.824 2.35 . . . . 0.0 112.603 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -74.71 -31.64 6.55 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.5 2.133 . . . . 0.0 112.413 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.76 132.18 41.97 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.036 0.446 . . . . 0.0 110.97 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -76.95 -55.95 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.409 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -49.18 -38.59 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.683 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -68.51 -56.13 9.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.488 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.67 -25.13 16.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.826 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.475 ' CB ' ' CE1' ' B' ' 36' ' ' PHE . . . -73.11 -45.37 57.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -68.2 -35.53 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.142 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.91 -36.56 82.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.931 0.396 . . . . 0.0 110.355 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -79.02 -48.96 13.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -68.91 -48.17 63.96 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 33' ' ' VAL . 68.4 p -54.58 -48.58 71.93 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.043 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -50.0 -55.86 12.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -44.39 64.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -39.3 88.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.79 -28.92 69.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.18 90.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.75 174.3 7.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.061 -179.899 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -70.34 143.7 51.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 19.8 ptp -169.64 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -80.64 -67.95 1.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.448 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 18.9 p 57.08 29.47 16.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 69.8 mtm -149.19 115.72 5.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.788 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 2.1 m 66.65 103.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.806 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -55.44 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.721 0.772 . . . . 0.0 109.295 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.457 HG22 ' H ' ' B' ' 4' ' ' GLN . 0.0 OUTLIER 68.43 -156.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.973 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.457 ' H ' HG22 ' B' ' 3' ' ' ILE . 0.0 OUTLIER 67.59 114.37 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.96 114.24 14.14 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.227 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.36 175.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.123 1.882 . . . . 0.0 111.51 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -88.04 128.0 2.25 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.495 2.13 . . . . 0.0 112.574 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.8 -26.68 16.9 Favored Glycine 0 C--N 1.335 0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.67 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.408 HD11 HG11 ' A' ' 20' ' ' VAL . 1.4 tt -52.72 -45.81 67.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.472 0.177 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.551 HG23 ' HE2' ' C' ' 605' ' ' LYS . 1.1 m -54.54 -49.14 70.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.133 0.492 . . . . 0.0 110.673 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.41 -29.58 66.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.442 HD12 ' HB3' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -68.61 -57.7 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.08 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.487 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 31.5 mt-30 -70.49 -39.76 74.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.03 82.86 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.009 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -79.5 -46.09 18.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.637 HG21 ' HB3' ' C' ' 600' ' ' ALA . 0.5 OUTLIER -55.7 -53.84 51.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.401 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.03 -31.05 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.491 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -53.3 7.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.548 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -56.56 -43.01 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.291 0.567 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.705 HD11 HD13 ' A' ' 5' ' ' ILE . 3.5 mm? -56.9 -49.63 74.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.647 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.425 ' HB3' HD12 ' C' ' 593' ' ' ILE . 21.1 ptt85 -85.67 -22.83 27.7 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -96.93 -47.62 5.75 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 111.411 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.66 83.72 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -85.69 171.18 8.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.762 2.308 . . . . 0.0 112.803 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -73.97 -33.29 6.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.596 2.197 . . . . 0.0 112.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -132.8 144.72 50.42 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.041 0.448 . . . . 0.0 110.779 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.788 HD11 HD12 ' A' ' 9' ' ' LEU . 1.8 mm? -82.92 -42.83 17.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.759 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -57.94 -56.57 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.326 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.11 -56.47 20.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -57.24 -27.64 62.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.71 -47.1 19.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.58 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 37' ' ' THR . 78.9 t -59.53 -59.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -52.98 -45.17 67.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.006 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 32' ' ' ALA . 5.0 m-85 -64.18 -42.8 96.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 33' ' ' VAL . 65.4 p -61.64 -41.02 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.909 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -55.77 -44.78 78.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.655 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 1.8 tt -67.79 -55.91 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -53.21 -57.81 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.26 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -54.35 -23.45 15.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.78 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 39' ' ' LEU . . . -47.25 -29.0 2.15 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.756 0.312 . . . . 0.0 111.402 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.42 154.19 42.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.741 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.173 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.67 0.272 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.63 -34.61 4.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 57.05 64.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.315 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -73.37 118.7 16.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 32.3 mt 66.88 -65.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.423 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 141.94 145.7 4.56 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 51.5 p -172.75 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.663 0.268 . . . . 0.0 111.421 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 68.64 -64.07 0.33 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.027 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 9.9 p 61.54 103.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.917 0.389 . . . . 0.0 111.471 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -77.75 -24.66 64.3 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.205 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 12.9 p90 173.11 25.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.078 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 589' ' ' VAL . . . . . 0.502 HG23 ' O ' ' C' ' 589' ' ' VAL . 28.7 m -99.89 108.52 52.02 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.76 67.67 4.73 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.025 1.817 . . . . 0.0 113.229 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 58.87 -82.64 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -46.07 -30.34 1.84 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 593' ' ' ILE . . . . . 0.503 HD13 HD12 ' A' ' 3' ' ' ILE . 47.3 mm -75.77 -28.52 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 594' ' ' TRP . . . . . 0.487 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 73.3 t-105 -80.81 -48.03 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -58.68 -42.14 87.83 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.57 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 596' ' ' LYS . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 20.5 mmmt -66.9 -60.48 2.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.09 -34.69 14.39 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.7 -31.73 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -70.21 -45.92 65.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.408 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 600' ' ' ALA . . . . . 0.637 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.71 -32.63 52.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 41.3 t -82.78 -38.01 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.44 -35.56 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -57.0 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 604' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 13' ' ' LEU . 8.9 p -60.29 -26.74 37.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.899 0.381 . . . . 0.0 111.896 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 605' ' ' LYS . . . . . 0.551 ' HE2' HG23 ' B' ' 10' ' ' THR . 18.9 mttm -72.72 -50.06 27.1 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -25.12 68.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.012 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 607' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' C' ' 610' ' ' THR . 50.1 mt-30 -79.97 -57.48 3.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.89 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.884 -0.51 . . . . 0.0 112.341 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -67.19 -33.52 75.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 610' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -70.6 -38.2 73.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 611' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' C' ' 615' ' ' ALA . 54.5 mm-40 -63.02 -27.47 69.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.394 0.616 . . . . 0.0 109.863 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.82 -55.67 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -48.28 -24.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.574 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -169.31 53.25 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.516 -0.474 . . . . 0.0 112.182 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 615' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' C' ' 611' ' ' GLU . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.118 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.7 mm -46.26 104.65 0.41 Allowed Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.22 154.17 19.41 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.06 1.84 . . . . 0.0 112.465 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.13 156.44 17.39 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.456 2.104 . . . . 0.0 112.211 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.04 -21.57 7.86 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.372 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -29.26 66.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.016 0.408 . . . . 0.0 110.789 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -47.57 69.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.859 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.44 -31.19 70.33 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.52 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.17 -46.17 71.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.636 0.255 . . . . 0.0 111.452 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.699 ' HB2' HG21 ' C' ' 604' ' ' VAL . 63.3 mt -73.43 -32.15 64.23 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.086 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' HG21 ' C' ' 604' ' ' VAL . 0.0 OUTLIER -58.58 -47.23 84.99 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.333 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.51 -48.09 55.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.88 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 49.7 t80 -70.43 -49.12 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.054 0.454 . . . . 0.0 110.635 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.71 ' O ' HD12 ' A' ' 21' ' ' LEU . 9.4 m -57.18 -59.88 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.105 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.12 -29.53 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -77.48 -33.04 54.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.622 0.249 . . . . 0.0 111.419 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.522 HG11 HD13 ' B' ' 9' ' ' LEU . 0.3 OUTLIER -62.34 -39.28 83.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.537 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 17' ' ' THR . 2.9 mp -75.67 -47.57 25.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -50.62 -36.06 33.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.956 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -107.63 -29.39 9.18 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 56.31 71.24 1.23 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.679 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.65 165.25 27.21 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.766 2.31 . . . . 0.0 112.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -88.56 -16.24 2.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.695 2.263 . . . . 0.0 113.694 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -132.28 140.58 48.67 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 121.21 0.529 . . . . 0.0 111.617 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD22 HD12 ' B' ' 9' ' ' LEU . 12.3 mt -92.39 -43.84 9.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.55 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.34 -45.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.12 -55.87 7.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.266 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 66.3 t80 -54.85 -25.6 29.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.409 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -73.32 -52.1 15.12 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.495 HG21 HG22 ' B' ' 37' ' ' THR . 9.0 p -70.29 -29.16 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.61 -38.53 73.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -78.69 -44.34 23.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.13 -51.09 26.96 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.6 p -55.47 -51.99 65.1 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.222 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -53.32 -50.56 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.39 -52.94 19.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.645 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.226 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo . . . . . 0 CA--C 1.529 0.256 0 CA-C-O 120.98 0.325 . . . . 0.0 112.779 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.8 15.68 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.522 HD13 HG11 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.675 0.274 . . . . 0.0 110.663 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -55.56 -47.06 76.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.98 0.419 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -67.26 -39.23 86.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.733 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.24 -51.83 67.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.5 0.19 . . . . 0.0 110.918 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.407 HD13 ' HG ' ' B' ' 9' ' ' LEU . 7.9 mp -63.15 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.68 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.878 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.72 43.09 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.674 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -80.62 -47.56 13.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 111.302 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -54.7 -47.72 73.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.981 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' CB ' ' C' ' 597' ' ' ALA . 27.0 m -51.46 -31.4 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.133 0.492 . . . . 0.0 111.023 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.439 ' OE1' ' CE2' ' B' ' 31' ' ' PHE . 18.1 tt0 -76.01 -42.07 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.475 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' GLN . 48.8 t -60.09 -47.38 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -57.42 -49.4 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.067 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -84.77 -22.81 29.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -97.4 -45.42 6.46 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.181 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 20' ' ' VAL . 41.3 mm-40 57.7 85.98 0.17 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.659 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.49 169.04 5.96 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.103 2.535 . . . . 0.0 112.731 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.98 -37.56 6.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.269 1.979 . . . . 0.0 111.559 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -133.01 134.07 43.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -73.13 -44.18 60.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.407 HG13 ' N ' ' B' ' 30' ' ' GLU . 10.1 p -63.12 -44.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.664 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' HG13 ' B' ' 29' ' ' VAL . 15.0 tt0 -70.94 -33.9 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . 0.439 ' CE2' ' OE1' ' B' ' 19' ' ' GLU . 39.9 t80 -72.24 -29.19 63.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.896 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.87 -52.55 8.7 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.855 ' O ' HG23 ' B' ' 37' ' ' THR . 10.6 m -45.99 -43.92 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.513 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -72.99 -35.63 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.72 -39.15 90.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.295 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -77.51 -34.54 54.02 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.855 HG23 ' O ' ' B' ' 33' ' ' VAL . 69.3 p -66.92 -43.2 83.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.111 0.482 . . . . 0.0 110.046 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -60.9 -39.99 91.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.422 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.05 -55.9 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.459 -179.383 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -51.22 -24.73 4.62 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.47 -28.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -80.22 -48.49 13.02 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -57.31 -44.86 84.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -64.63 -59.46 4.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' B' ' 18' ' ' VAL . . . -48.98 -34.74 13.64 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.75 -35.88 81.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.549 0.214 . . . . 0.0 110.806 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.77 -46.2 79.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 38.2 t -69.64 -38.08 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -65.58 -37.99 88.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.917 0.389 . . . . 0.0 110.052 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.1 -57.17 7.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 13' ' ' LEU . 11.5 p -61.17 -26.92 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 112.098 0.406 . . . . 0.0 112.098 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -72.53 -47.58 47.21 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -67.77 -24.92 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.481 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -59.37 2.77 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.64 -31.45 2.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.945 -0.472 . . . . 0.0 111.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -31.85 71.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.289 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 2.8 m -67.73 -41.07 84.04 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.29 -23.83 57.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.0 109.941 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.44 HD11 HD13 ' A' ' 21' ' ' LEU . 61.9 mt -86.84 -47.51 8.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.787 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.231 -179.692 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.453 ' O ' ' CG ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 120.708 0.289 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.3 mm -43.21 102.39 0.28 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.6 108.25 0.18 Allowed 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.486 2.124 . . . . 0.0 112.824 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.99 150.87 6.26 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.238 1.959 . . . . 0.0 112.331 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.1 -24.9 5.75 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.367 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.539 HD23 HD12 ' B' ' 28' ' ' LEU . 1.9 tm? -62.09 -32.97 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.179 0.49 . . . . 0.0 110.559 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.646 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.78 -28.04 68.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.19 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.35 -41.83 65.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 111.303 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.481 ' HG ' HD22 ' B' ' 13' ' ' LEU . 7.1 mp -75.18 -28.56 60.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.033 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -47.12 81.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.22 60.51 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.349 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 54.5 t80 -75.34 -50.64 15.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.903 0.382 . . . . 0.0 110.926 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.612 HG21 ' HA ' ' C' ' 605' ' ' LYS . 25.1 m -51.77 -59.95 3.72 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.44 -32.06 16.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -52.87 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.201 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -48.0 -37.82 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.62 -52.22 11.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.297 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -22.96 63.41 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -98.83 -34.56 10.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.215 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 57.06 73.57 0.77 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.723 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.82 163.28 16.07 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 0.0 112.444 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.16 -31.1 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.547 2.165 . . . . 0.0 112.569 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.24 139.84 48.44 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 110.98 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -82.02 -28.8 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.931 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HD11 ' B' ' 12' ' ' LEU . 4.0 t -75.17 -56.32 9.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.887 0.375 . . . . 0.0 111.194 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.16 92.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.23 -25.06 66.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -70.55 -43.16 70.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.637 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -55.5 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.25 -37.0 15.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.72 0.295 . . . . 0.0 111.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -78.65 -50.89 10.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 6.4 m-85 -67.0 -38.05 85.31 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.2 p -63.23 -51.31 66.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.953 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -57.62 -48.84 78.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.08 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.37 -56.01 9.25 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.928 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.181 179.838 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 CA--C 1.532 0.409 0 N-CA-C 112.839 0.284 . . . . 0.0 112.839 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -27.95 16.26 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.897 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -50.56 -47.54 57.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.53 0.205 . . . . 0.0 111.223 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -54.66 -48.88 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -54.89 -53.65 52.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.768 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.456 HD11 HG22 ' A' ' 29' ' ' VAL . 3.3 mm? -50.49 -57.61 7.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.374 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.481 HD22 ' HG ' ' A' ' 13' ' ' LEU . 93.1 mt -58.6 -23.85 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.38 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -43.68 74.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.747 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.55 -34.28 80.7 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.114 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.703 ' O ' HG23 ' B' ' 20' ' ' VAL . 29.3 t80 -78.26 -49.5 13.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.52 0.2 . . . . 0.0 111.45 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -52.84 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.326 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 m -47.97 -36.57 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.965 0.412 . . . . 0.0 111.944 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -79.09 -52.62 7.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 16' ' ' TYR . 96.5 t -48.38 -54.41 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.1 -41.09 82.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -71.83 -25.68 62.07 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -104.45 -45.01 4.77 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 61.65 79.34 0.28 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -82.33 167.69 15.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.61 2.207 . . . . 0.0 112.776 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.55 -35.04 18.26 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.421 2.08 . . . . 0.0 111.805 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -132.45 131.96 42.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 9' ' ' LEU . 3.8 mm? -70.49 -36.73 74.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.721 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.59 -52.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.07 -42.55 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -72.0 -26.14 62.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.225 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.21 -44.72 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -35.71 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.833 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -77.9 -40.22 40.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.841 0.353 . . . . 0.0 111.388 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -60.03 -52.86 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 26.4 m-85 -62.94 -46.89 85.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.259 -0.176 . . . . 0.0 111.415 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -58.51 -37.17 75.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.994 0.426 . . . . 0.0 110.007 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.52 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.731 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -52.39 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.549 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -48.15 -23.46 0.86 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -26.1 11.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.114 -0.366 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -73.04 -47.62 43.24 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.08 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -57.4 -43.15 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -66.99 -56.89 8.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.28 -38.05 17.85 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.23 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.2 -44.76 83.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.557 ' O ' HG12 ' C' ' 604' ' ' VAL . . . -55.25 -36.04 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.709 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 23.3 t -80.0 -45.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.51 -37.58 87.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 110.248 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -70.07 -57.26 5.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.557 HG12 ' O ' ' C' ' 600' ' ' ALA . 7.2 p -61.62 -28.11 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . 0.612 ' HA ' HG21 ' A' ' 17' ' ' THR . 17.8 ttpp -76.4 -47.01 24.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.382 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -63.32 -31.84 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.782 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -77.43 -48.33 17.46 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.56 -31.81 3.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.385 0.539 . . . . 0.0 110.92 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 27.1 ttp -64.88 -36.65 85.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.123 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 69.3 m -67.25 -39.52 86.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.3 -26.8 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.724 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.6 -49.22 6.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.766 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.369 -179.668 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 N-CA-C 111.117 0.043 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.4 mm -52.58 106.11 0.61 Allowed Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 33.0 Cg_exo -62.4 138.29 70.21 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.09 1.86 . . . . 0.0 112.636 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 26.6 Cg_exo -61.91 160.87 27.7 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.882 1.721 . . . . 0.0 112.048 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.3 -23.99 3.75 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.033 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -53.2 33.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.522 0.661 . . . . 0.0 110.915 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -45.11 61.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.38 -38.32 77.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.43 -43.47 66.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.407 . . . . 0.0 111.268 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' HB2' HG21 ' C' ' 604' ' ' VAL . 14.5 mt -75.34 -31.91 60.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.188 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 18' ' ' VAL . 21.4 tt0 -64.84 -43.03 94.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.214 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.95 -41.63 77.56 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.816 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 20' ' ' VAL . 48.0 t80 -70.64 -48.4 55.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.373 . . . . 0.0 111.12 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.416 HG21 ' HA ' ' C' ' 605' ' ' LYS . 1.9 m -55.67 -59.87 4.24 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' GLN . 26.1 m -48.98 -26.97 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.02 -44.91 21.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 16' ' ' TYR . 4.8 t -57.57 -38.91 66.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.456 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 mt -74.41 -35.59 63.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.275 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.21 -23.1 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -106.22 -41.98 5.19 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.653 0.263 . . . . 0.0 111.494 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 59.97 78.59 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.837 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -82.31 170.18 13.56 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.42 -33.07 7.35 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.421 2.081 . . . . 0.0 112.254 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.86 153.21 51.54 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.248 0.547 . . . . 0.0 111.17 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.73 -42.6 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 30' ' ' GLU . 13.9 p -64.58 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.523 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' N ' HG13 ' A' ' 29' ' ' VAL . 36.1 mt-10 -69.28 -50.79 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.4 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -56.05 -25.21 44.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.527 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.83 -44.07 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.582 HG13 ' OG1' ' A' ' 37' ' ' THR . 78.7 t -63.98 -56.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -47.73 -35.44 9.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.57 -55.62 5.06 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -75.41 -38.13 60.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.582 ' OG1' HG13 ' A' ' 33' ' ' VAL . 3.6 m -66.26 -43.31 86.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -77.53 -25.78 50.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.767 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 tp -59.44 -55.17 37.99 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.299 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.977 179.291 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.46 -0.456 0 CA-C-O 120.759 0.233 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.45 -28.94 3.08 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.866 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.63 -47.18 82.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.1 m -54.49 -48.14 72.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.882 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.32 -29.86 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.519 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.25 -57.47 8.38 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.78 -35.16 68.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -68.19 -44.16 76.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.995 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.88 -35.92 49.02 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -80.06 -46.77 15.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.379 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m -55.8 -49.73 72.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.331 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 m -51.88 -33.01 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.74 -38.6 53.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.678 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' B' ' 24' ' ' GLN . 77.7 t -60.91 -50.68 79.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -74.2 -23.36 59.19 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -109.98 -52.34 2.78 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.686 0.279 . . . . 0.0 111.651 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' B' ' 20' ' ' VAL . 48.1 mt-30 64.28 83.64 0.19 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -86.61 173.59 6.21 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.847 2.365 . . . . 0.0 112.781 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.13 -28.36 9.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -132.21 135.46 46.33 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.026 0.441 . . . . 0.0 110.893 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -78.59 -41.58 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.17 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.457 HG13 ' N ' ' B' ' 30' ' ' GLU . 10.4 p -67.36 -46.94 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.457 ' N ' HG13 ' B' ' 29' ' ' VAL . 27.1 tt0 -59.21 -56.37 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.49 -25.72 38.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.98 -48.02 17.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.842 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.9 -55.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 110.821 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.54 -39.98 81.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.209 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.28 -60.33 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.402 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 39.1 m-85 -59.53 -42.99 93.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.537 0.208 . . . . 0.0 111.51 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -57.49 -31.27 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -76.89 -36.74 56.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -56.1 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.56 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.845 -179.61 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 . . . . . 0 N--CA 1.466 0.34 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -49.08 -26.46 2.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 111.982 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 2.0 mm -73.34 -26.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.225 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . 0.432 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 58.8 t-105 -78.59 -47.9 16.23 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -45.12 81.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.05 -57.88 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.771 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -40.71 28.77 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 120.866 0.365 . . . . 0.0 111.567 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.15 -34.73 76.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -64.47 -45.35 87.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.264 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.56 -43.92 72.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.044 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.7 -44.63 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -61.81 -34.78 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -74.02 -53.41 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.401 HG21 ' HB2' ' A' ' 13' ' ' LEU . 2.5 p -65.35 -29.71 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . 0.416 ' HA ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -75.64 -44.9 40.25 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -63.86 -23.79 67.49 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.48 -55.25 5.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.921 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . 0.405 ' HB1' ' CG1' ' A' ' 18' ' ' VAL . . . -45.05 -33.95 2.32 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -27.51 62.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.588 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 14.4 m -74.28 -42.07 60.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.58 -32.69 70.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.323 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 4.2 pp -89.35 -24.58 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.611 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 179.666 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 C--O 1.231 0.101 0 N-CA-C 111.341 0.126 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.7 mm -39.29 100.69 0.22 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 120.591 0.234 . . . . 0.0 110.721 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.09 111.32 0.46 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.606 2.204 . . . . 0.0 113.144 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.42 144.33 24.7 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.038 1.825 . . . . 0.0 112.084 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.25 -26.46 7.84 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.262 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.2 tt -55.83 -42.91 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 0.0 110.62 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.91 HG23 HG12 ' C' ' 604' ' ' VAL . 85.4 m -57.39 -42.34 82.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -29.69 70.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.09 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.59 -43.48 63.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.541 HD12 HG11 ' C' ' 604' ' ' VAL . 29.0 mt -71.25 -40.49 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.58 -42.32 74.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.15 -49.41 59.66 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.306 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.39 -42.19 96.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -55.17 -59.58 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.159 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 m -55.39 -33.38 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.742 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.6 -45.51 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.729 0.299 . . . . 0.0 110.797 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' B' ' 9' ' ' LEU . 55.3 t -66.67 -34.03 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.263 0.554 . . . . 0.0 109.974 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mp -74.56 -37.43 62.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.468 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HB2' HD21 ' C' ' 612' ' ' LEU . 4.4 tmm_? -85.46 -23.04 27.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.928 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -51.8 2.83 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 65.57 91.57 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.47 173.81 2.12 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.112 2.541 . . . . 0.0 112.724 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -74.47 -31.03 7.53 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.443 2.095 . . . . 0.0 111.986 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -132.61 137.05 46.91 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.96 -53.03 7.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.01 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -55.26 -38.77 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -53.56 28.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -58.42 -28.42 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.607 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.37 -42.03 88.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.61 HG11 HG23 ' B' ' 37' ' ' THR . 0.2 OUTLIER -66.82 -59.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -49.34 -32.59 11.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.849 0.357 . . . . 0.0 110.945 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -78.77 -49.03 13.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -73.22 -50.76 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.52 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -55.38 -48.64 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.579 0.228 . . . . 0.0 111.589 -178.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.48 -55.06 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 CA--C 1.53 0.296 0 N-CA-C 112.902 0.308 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.1 -36.66 3.59 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.866 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.486 ' CD1' HG11 ' A' ' 20' ' ' VAL . 4.1 tt -53.08 -45.37 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.65 0.262 . . . . 0.0 111.005 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.9 m -54.88 -45.83 74.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.895 0.378 . . . . 0.0 110.822 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -62.77 -33.05 74.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.756 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.93 -47.78 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.578 0.227 . . . . 0.0 111.295 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.95 -53.53 48.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.54 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.401 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -57.88 -31.12 66.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.997 -179.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.401 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.8 -35.46 82.32 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.675 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -79.7 -42.64 24.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 109.934 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -56.16 -45.21 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.855 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.401 HG22 ' O ' ' B' ' 15' ' ' GLY . 16.0 m -54.97 -28.68 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.35 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -79.12 -47.54 15.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' B' ' 24' ' ' GLN . 29.4 t -52.95 -47.36 53.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.183 0.516 . . . . 0.0 110.145 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.98 -42.92 91.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.46 -23.22 40.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -107.59 -50.41 3.07 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 63.28 76.83 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.941 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -80.23 170.46 16.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.687 2.258 . . . . 0.0 112.766 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -71.47 -32.93 11.6 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.499 2.132 . . . . 0.0 112.091 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.53 136.8 46.87 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.114 0.483 . . . . 0.0 110.717 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 mt -72.32 -40.41 67.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.137 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.71 -56.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -48.87 23.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.894 0.378 . . . . 0.0 110.773 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -69.06 -25.43 64.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.583 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.79 -46.21 22.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.722 0.296 . . . . 0.0 111.72 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.454 ' O ' ' OG1' ' B' ' 37' ' ' THR . 0.0 OUTLIER -54.96 -59.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 109.92 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.93 -35.48 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.403 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -68.8 -52.76 26.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.471 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.71 -45.67 28.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.567 0.222 . . . . 0.0 111.548 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.61 HG23 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -60.73 -27.29 67.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.239 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -75.45 -36.35 60.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 109.939 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.06 -48.58 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.248 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' B' ' 40' ' ' ARG . 27.2 tpt180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.11 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -45.19 -29.62 0.99 Allowed 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 23.7 mm -74.64 -27.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.25 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . 0.401 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 64.7 t-105 -79.85 -47.36 15.26 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.263 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -56.05 -44.74 79.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -66.13 -58.17 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.615 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.52 20.49 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 111.7 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.9 -39.74 79.57 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.424 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.91 -44.09 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.899 ' O ' HG13 ' C' ' 604' ' ' VAL . . . -54.03 -55.02 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . 0.402 ' HA ' HG22 ' C' ' 604' ' ' VAL . 21.4 t -63.73 -39.04 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.77 -37.93 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.89 -51.77 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.91 HG12 HG23 ' A' ' 10' ' ' THR . 1.4 m -59.81 -28.1 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.489 . . . . 0.0 111.719 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -76.03 -49.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.838 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.572 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . 0.456 HE22 HG21 ' A' ' 10' ' ' THR . 13.9 mt-30 -79.4 -54.94 5.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.006 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.42 -33.23 3.76 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.192 0.52 . . . . 0.0 111.546 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 4.0 mtm -69.57 -34.24 73.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -65.67 -35.81 81.86 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.17 -24.86 67.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.367 0.603 . . . . 0.0 109.494 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -89.63 -51.43 5.53 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.867 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -179.575 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.231 0.085 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.9 mm -39.23 99.23 0.19 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.022 0.202 . . . . 0.0 111.118 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.85 112.03 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.394 2.063 . . . . 0.0 112.502 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -45.82 157.12 0.37 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.206 1.937 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.7 -20.7 17.64 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.33 -32.84 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.51 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -65.57 -34.15 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.76 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -44.58 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 111.385 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.62 ' HG ' HD22 ' B' ' 13' ' ' LEU . 7.3 mp -73.93 -28.02 61.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.7 -44.54 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.71 -46.38 82.63 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.656 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.457 ' HD2' HD21 ' B' ' 13' ' ' LEU . 35.7 t80 -71.06 -47.22 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.064 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' HD12 ' A' ' 21' ' ' LEU . 58.6 m -58.43 -60.52 3.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.123 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.62 -26.31 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.693 0.282 . . . . 0.0 111.571 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -79.0 -41.43 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -39.2 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 0.0 110.747 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 17' ' ' THR . 1.1 mt -75.88 -49.04 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.242 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -63.02 -23.3 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -37.09 5.98 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 19.2 mm-40 59.16 74.55 0.58 Allowed Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.39 166.06 14.17 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.965 2.443 . . . . 0.0 113.264 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.04 -31.31 3.06 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.734 2.29 . . . . 0.0 112.672 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.23 145.22 51.18 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.288 0.566 . . . . 0.0 110.77 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.777 HD22 HD23 ' B' ' 9' ' ' LEU . 18.1 mt -86.64 -47.96 8.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.966 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 p -52.92 -40.59 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -73.84 -56.18 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -49.66 -27.69 4.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.96 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.6 -43.75 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.581 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 37' ' ' THR . 0.3 OUTLIER -72.61 -28.82 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.303 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.55 -36.97 71.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -79.15 -47.0 16.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.364 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.43 -51.14 60.1 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 33' ' ' VAL . 69.4 p -52.63 -52.73 54.24 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.919 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -56.06 15.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.22 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.58 -51.83 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.346 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo . . . . . 0 CA--C 1.529 0.268 0 CA-C-O 121.017 0.341 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -30.32 6.77 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.826 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.777 HD23 HD22 ' A' ' 28' ' ' LEU . 3.3 tm? -56.21 -42.63 77.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.596 0.236 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -52.48 -39.98 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.29 -44.93 78.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.219 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.88 -52.76 59.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.708 -0.223 . . . . 0.0 110.779 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' A' ' 13' ' ' LEU . 85.4 mt -60.59 -37.54 81.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.416 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 1.8 tt0 -66.14 -45.65 80.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.875 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.12 -36.54 52.32 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.184 -0.532 . . . . 0.0 112.656 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -79.69 -45.35 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.524 HG21 ' HB3' ' C' ' 600' ' ' ALA . 2.0 m -61.74 -29.41 70.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.4 -28.37 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.286 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -79.25 -47.62 15.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.902 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.509 HG12 ' O ' ' B' ' 17' ' ' THR . 5.9 p -53.05 -44.12 49.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -49.21 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -69.99 -23.47 63.15 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -101.57 -45.83 5.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.89 0.376 . . . . 0.0 111.738 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 64.21 71.17 0.6 Allowed Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.62 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -83.51 163.86 14.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.055 2.503 . . . . 0.0 112.392 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -76.54 -26.64 8.35 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.511 2.14 . . . . 0.0 113.118 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -132.42 136.91 47.07 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.086 0.469 . . . . 0.0 111.167 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.407 ' N ' HD22 ' B' ' 28' ' ' LEU . 2.4 mm? -83.3 -44.91 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.04 -39.42 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -71.47 -56.01 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.353 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.14 -28.82 55.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.141 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 -51.24 10.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.049 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.41 ' CG2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -57.19 -36.22 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -77.87 -36.01 50.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.903 0.383 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.37 -44.99 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.44 -41.95 75.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.492 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -60.61 -40.1 90.62 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.108 0.48 . . . . 0.0 110.082 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -58.5 -42.68 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.339 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.14 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.511 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -45.33 -28.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 7.8 mm -73.61 -27.97 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.213 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . 0.416 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 56.6 t-105 -80.16 -47.22 15.05 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -60.2 -41.33 92.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.278 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -69.3 -58.14 4.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.734 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -33.65 10.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 111.396 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.787 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.05 -46.31 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.715 0.293 . . . . 0.0 110.3 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.524 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -50.93 -41.79 59.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.83 -39.37 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -66.2 -41.72 89.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.314 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.73 -57.16 8.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.458 HG12 ' O ' ' C' ' 600' ' ' ALA . 9.4 p -62.11 -26.57 40.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.955 0.407 . . . . 0.0 111.887 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -73.13 -49.45 28.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.982 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -65.32 -23.77 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.048 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -79.61 -59.24 2.82 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.19 -30.83 2.12 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -63.78 -33.1 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.388 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 6.3 m -67.55 -42.26 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.48 -25.06 61.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.352 0.596 . . . . 0.0 110.104 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.7 -38.13 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.151 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.1 -179.004 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.51 115.84 28.29 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.301 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.63 144.4 15.66 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.126 1.884 . . . . 0.0 112.178 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -86.21 34.86 0.47 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.329 2.019 . . . . 0.0 113.403 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.05 -39.8 0.47 Allowed Glycine 0 CA--C 1.51 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.658 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.649 HD12 ' CD2' ' B' ' 28' ' ' LEU . 0.7 OUTLIER -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -61.05 -44.32 97.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -28.81 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.14 -39.94 62.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 111.172 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HB3' HG11 ' C' ' 604' ' ' VAL . 6.3 mp -73.45 -35.87 65.81 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.267 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.7 -43.57 97.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.426 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.21 65.2 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.356 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -71.83 -48.76 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -56.83 -59.77 4.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.326 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -53.78 -28.12 16.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.941 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -78.83 -41.02 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.079 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG11 HD12 ' B' ' 9' ' ' LEU . 45.1 t -60.41 -37.43 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.936 0.398 . . . . 0.0 110.689 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.32 -35.26 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.317 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -82.62 -23.41 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -114.87 -49.55 2.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.0 mt-30 66.17 92.79 0.06 OUTLIER Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.66 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -89.24 169.82 4.95 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.93 2.42 . . . . 0.0 112.553 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.25 -36.1 12.82 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.26 1.973 . . . . 0.0 111.75 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -132.8 133.8 43.85 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.779 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.6 mp -81.16 -23.96 37.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 ' HG2' ' B' ' 40' ' ' ARG . 9.3 t -70.26 -50.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.82 -49.34 59.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.284 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -48.7 -25.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.978 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.26 -38.95 60.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.62 -59.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.12 -30.71 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -78.62 -44.77 23.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.647 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.49 -41.69 46.2 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.329 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.0 p -58.5 -55.44 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.51 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -53.59 -36.23 61.71 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.945 0.402 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.48 -52.38 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.855 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.558 ' HG2' HG22 ' B' ' 29' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.865 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 CA--C 1.531 0.357 0 N-CA-C 112.98 0.338 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.11 -30.31 4.83 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.363 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 20' ' ' VAL . 4.9 tt -53.67 -42.75 68.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.569 0.223 . . . . 0.0 111.159 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.4 m -51.98 -40.9 61.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 0.0 111.385 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -74.16 -42.81 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.46 -57.57 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.75 -35.57 78.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.822 0.344 . . . . 0.0 110.274 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -63.74 -44.37 93.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -37.63 56.72 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.794 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 71.7 t80 -79.97 -47.18 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.585 HG23 HD22 ' A' ' 9' ' ' LEU . 3.7 m -55.73 -48.35 75.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.074 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.4 m -48.17 -25.95 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.97 -40.98 30.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' B' ' 21' ' ' LEU . 0.8 OUTLIER -59.6 -43.28 90.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.821 0.343 . . . . 0.0 111.167 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' B' ' 20' ' ' VAL . 3.5 mm? -61.68 -53.4 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.522 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -79.01 -22.97 44.71 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.87 -51.27 3.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.736 0.303 . . . . 0.0 111.246 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 63.98 65.25 1.19 Allowed Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.485 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.06 166.24 29.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.851 2.367 . . . . 0.0 112.221 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.03 -25.94 8.31 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.453 2.102 . . . . 0.0 113.175 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.36 134.0 44.66 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.097 0.475 . . . . 0.0 111.132 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.649 ' CD2' HD12 ' A' ' 9' ' ' LEU . 4.3 mt -81.21 -50.52 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.077 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.558 HG22 ' HG2' ' A' ' 40' ' ' ARG . 12.5 p -58.96 -43.75 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.802 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.446 ' N ' HG13 ' B' ' 29' ' ' VAL . 17.6 tt0 -67.92 -56.5 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.41 -25.1 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.66 -38.29 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.405 ' O ' HG23 ' B' ' 37' ' ' THR . 42.0 t -61.08 -51.63 70.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 0.0 110.74 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.44 -45.03 96.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.54 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.1 -60.32 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.418 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.95 -41.44 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.486 0.184 . . . . 0.0 111.11 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 33' ' ' VAL . 24.4 p -64.67 -40.07 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -55.2 -46.83 75.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.308 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.52 -55.66 31.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.588 ' HG2' HG12 ' A' ' 29' ' ' VAL . 21.1 mmm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.609 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 . . . . . 0 CA--C 1.532 0.255 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.63 -21.88 7.67 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 13.3 mm -73.42 -27.54 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.366 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . 0.442 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 34.0 t-105 -79.94 -46.98 15.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -58.17 -43.72 87.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.196 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.76 -54.39 16.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.176 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.39 -34.08 15.36 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.9 -33.72 76.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.175 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.42 -45.27 84.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.054 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.51 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.84 -37.84 64.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.967 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 48.7 t -78.31 -41.16 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.96 -36.4 82.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.0 -56.96 6.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.412 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 13' ' ' LEU . 9.6 p -60.43 -27.6 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 0.6 OUTLIER -76.96 -48.61 17.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.45 -32.53 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.443 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . 0.88 ' O ' HG22 ' C' ' 610' ' ' THR . 17.8 pt20 -79.4 -46.67 17.12 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -48.23 -34.24 9.92 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.687 0.676 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 5.4 ptm -65.9 -32.49 74.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.584 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . 0.88 HG22 ' O ' ' C' ' 607' ' ' GLN . 5.1 t -70.88 -31.7 68.44 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.2 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.45 -25.02 66.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.535 0.683 . . . . 0.0 109.875 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.4 -44.01 11.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.828 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 C--O 1.231 0.091 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.0 mm -42.89 103.92 0.34 Allowed Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.85 -0.159 . . . . 0.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.27 111.57 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.614 2.21 . . . . 0.0 113.279 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.64 147.36 13.5 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.0 1.8 . . . . 0.0 111.931 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.24 -22.98 8.77 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.063 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.57 -41.88 77.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.977 0.388 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -56.24 -41.36 75.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.63 -32.86 74.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.501 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.38 -42.62 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' C' ' 604' ' ' VAL . 7.3 mp -72.34 -32.19 66.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.4 94.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.29 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.39 -44.79 66.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.823 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.656 ' O ' HG23 ' A' ' 20' ' ' VAL . 41.5 t80 -73.62 -50.77 19.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.244 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -51.81 -58.52 6.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.929 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.33 -32.72 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.589 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -75.93 -43.93 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.523 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 16' ' ' TYR . 93.4 t -54.56 -45.12 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.556 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD23 HD22 ' C' ' 612' ' ' LEU . 16.3 tp -75.48 -32.96 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 112.031 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -60.64 -39.23 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -111.09 -23.69 10.76 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 55.05 86.38 0.17 Allowed Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.699 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -84.03 169.45 11.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.659 2.239 . . . . 0.0 112.461 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.25 -30.22 5.65 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.55 2.167 . . . . 0.0 112.527 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -132.72 140.17 47.96 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.115 0.483 . . . . 0.0 111.276 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.5 -53.57 6.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.373 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 30' ' ' GLU . 8.6 p -53.95 -46.06 64.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.619 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' N ' HG13 ' A' ' 29' ' ' VAL . 7.8 tp10 -65.18 -55.96 15.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.996 0.427 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.03 -25.31 29.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.2 -43.5 74.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.386 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.46 -57.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -47.79 -35.02 9.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 0.0 111.317 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -78.62 -49.99 12.27 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.2 -41.17 81.75 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.0 p -59.12 -52.02 67.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -50.78 -55.43 16.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tt -50.88 -55.83 15.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.71 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 179.614 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo . . . . . 0 N--CA 1.464 -0.256 0 N-CA-C 112.837 0.283 . . . . 0.0 112.837 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.19 -34.58 4.86 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.75 -42.77 65.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.594 0.235 . . . . 0.0 110.673 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.508 HG22 ' OE1' ' B' ' 14' ' ' GLN . 1.3 m -59.7 -51.88 67.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.044 0.449 . . . . 0.0 111.292 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.07 -44.63 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.876 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.97 -55.89 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.247 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.38 -31.6 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.225 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.508 ' OE1' HG22 ' B' ' 10' ' ' THR . 32.4 mt-30 -68.17 -42.68 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.637 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.08 87.61 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.465 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -79.79 -48.69 13.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.59 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -52.49 -53.23 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 m -46.79 -35.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.1 -34.87 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' B' ' 24' ' ' GLN . 26.4 t -64.92 -44.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.157 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.74 -53.33 59.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.131 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -71.41 -23.43 61.86 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -107.86 -52.24 2.79 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.863 0.363 . . . . 0.0 111.67 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' B' ' 20' ' ' VAL . 45.3 mt-30 64.16 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -90.12 168.45 4.42 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.925 2.417 . . . . 0.0 112.491 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.89 -36.53 22.9 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.316 2.01 . . . . 0.0 112.004 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -132.97 135.89 45.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.51 -42.73 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.35 -37.58 74.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.807 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.14 -46.32 43.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -66.25 -26.0 67.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 -46.36 21.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.126 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' B' ' 37' ' ' THR . 1.6 p -59.53 -31.84 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.863 0.363 . . . . 0.0 111.196 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.16 -44.13 26.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.152 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.42 -57.18 14.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 35.8 m-85 -59.38 -44.65 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.436 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 33' ' ' VAL . 24.4 p -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.998 0.428 . . . . 0.0 110.278 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -56.78 -42.38 79.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.76 -52.1 66.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.585 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.48 -35.34 8.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 20.9 mm -71.87 -27.72 28.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.772 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -79.86 -48.83 12.86 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -54.92 -45.27 74.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -67.31 -59.33 3.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.91 -37.92 21.2 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.51 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.531 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.563 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.437 ' O ' HG12 ' C' ' 604' ' ' VAL . . . -54.84 -47.01 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . 0.464 HG21 ' HG3' ' B' ' 14' ' ' GLN . 29.1 t -69.26 -42.95 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -65.9 -38.1 87.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.207 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.07 -57.09 5.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.437 HG12 ' O ' ' C' ' 600' ' ' ALA . 8.8 p -61.86 -27.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.43 . . . . 0.0 111.834 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.95 -48.77 22.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.55 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -57.99 -27.27 63.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.451 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.33 -54.52 5.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.96 -36.87 13.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -70.34 -28.87 65.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.731 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 1.5 m -67.11 -38.32 85.43 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.94 -21.27 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.446 0.641 . . . . 0.0 109.404 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.474 HD22 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -84.12 -44.65 13.8 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.615 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.184 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.455 0.169 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.3 mm -42.07 100.92 0.23 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.618 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.05 114.49 1.42 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.599 2.2 . . . . 0.0 113.168 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.78 152.22 3.1 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.015 1.81 . . . . 0.0 111.966 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.91 -20.48 15.36 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.028 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -30.12 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.929 0.395 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -53.97 17.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.712 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -62.43 -26.83 68.71 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.093 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -44.7 62.05 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB2' HG21 ' C' ' 604' ' ' VAL . 91.0 mt -73.65 -31.24 63.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.995 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.491 ' N ' HG21 ' C' ' 604' ' ' VAL . 6.3 tt0 -62.32 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.644 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.52 87.53 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.353 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.439 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 48.2 t80 -71.03 -48.44 52.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.956 0.408 . . . . 0.0 110.978 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 20' ' ' VAL . 4.6 m -56.26 -59.81 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.375 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.23 -28.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.575 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.4 -34.77 63.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.709 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -66.13 -32.5 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -75.35 -51.34 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.023 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -74.97 -22.65 58.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -93.84 -39.23 10.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.022 0.439 . . . . 0.0 110.734 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 58.39 75.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.55 163.68 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.084 2.522 . . . . 0.0 112.277 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.02 -30.8 2.04 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.526 2.151 . . . . 0.0 113.2 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -132.56 147.43 52.35 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.328 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -87.92 -39.72 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.457 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 30' ' ' GLU . 11.5 p -62.51 -42.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 29' ' ' VAL . 36.4 tt0 -74.47 -42.89 58.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.113 0.482 . . . . 0.0 110.163 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.48 -25.35 64.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.623 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.42 -49.38 42.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.758 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG21 HG22 ' B' ' 37' ' ' THR . 9.5 p -72.24 -29.21 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -78.89 -39.65 34.46 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.488 ' HD1' HG12 ' B' ' 29' ' ' VAL . 6.2 m-85 -76.23 -51.45 12.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -52.61 -45.02 66.39 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.796 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -56.57 -51.39 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.549 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HG ' HG11 ' B' ' 29' ' ' VAL . 13.8 tp -57.86 -55.76 30.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo . . . . . 0 CA--C 1.529 0.273 0 N-CA-C 113.031 0.358 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.86 36.4 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.539 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.58 ' O ' HD23 ' B' ' 9' ' ' LEU . 7.4 tt -65.0 -39.44 93.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.774 -0.25 . . . . 0.0 111.467 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -52.97 -47.27 68.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.66 -28.13 67.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -55.67 15.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.6 -33.96 72.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -49.27 64.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.55 -36.02 52.99 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.606 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -80.42 -51.23 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.2 m -54.03 -49.91 67.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.901 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' C' ' 597' ' ' ALA . 29.0 m -48.86 -33.52 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.88 0.371 . . . . 0.0 111.342 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -76.92 -32.05 57.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.23 -52.17 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.52 -37.42 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.747 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.519 ' HB3' HD12 ' C' ' 593' ' ' ILE . 0.0 OUTLIER -85.57 -24.39 27.24 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -104.48 -37.61 7.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.653 0.263 . . . . 0.0 111.637 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 57.63 84.22 0.21 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -87.81 171.59 5.88 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.109 2.539 . . . . 0.0 112.634 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.1 -33.52 9.41 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.466 2.11 . . . . 0.0 111.979 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.478 ' OD1' HG22 ' B' ' 29' ' ' VAL . 3.8 t0 -132.65 169.49 16.57 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.88 -40.87 6.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.002 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.497 HG11 ' HG ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -72.6 -40.3 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.51 -34.5 70.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.67 -28.98 61.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.972 0.415 . . . . 0.0 110.344 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.8 -49.7 13.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.406 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.776 ' O ' HG23 ' B' ' 37' ' ' THR . 14.4 m -50.86 -47.7 29.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.409 ' N ' HG23 ' B' ' 33' ' ' VAL . 50.1 mt-10 -65.91 -33.01 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -69.92 -44.51 69.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.673 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -77.75 -27.62 50.47 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.776 HG23 ' O ' ' B' ' 33' ' ' VAL . 74.0 p -72.9 -35.65 67.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.774 0.321 . . . . 0.0 110.708 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -69.05 -35.74 76.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.25 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.89 -55.83 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.03 -179.719 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.97 -27.76 2.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.006 0.431 . . . . 0.0 111.907 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . 0.519 HD12 ' HB3' ' B' ' 22' ' ' ARG . 14.1 mm -68.38 -34.27 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.255 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -81.21 -44.68 17.44 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -58.19 -45.76 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.97 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.54 -57.9 5.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . 0.421 ' HB3' HG12 ' B' ' 18' ' ' VAL . . . -48.52 -30.4 5.2 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.09 -35.39 80.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.92 -44.01 94.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.384 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.28 67.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.41 -42.64 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -65.33 -36.91 85.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.782 0.325 . . . . 0.0 110.298 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.74 -57.58 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.298 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 13' ' ' LEU . 9.1 p -60.56 -27.42 40.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -47.01 29.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -59.17 2.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.71 6.58 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 10.7 ptp -64.77 -30.95 71.97 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -39.12 77.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.48 -26.05 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.431 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -40.95 12.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.941 179.735 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--O 1.23 0.044 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.5 mm -38.15 98.46 0.16 Allowed Pre-proline 0 N--CA 1.468 0.437 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.275 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.76 109.55 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.368 2.045 . . . . 0.0 112.508 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.71 153.88 1.18 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.36 2.04 . . . . 0.0 112.617 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.38 -22.49 12.79 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.131 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.26 -35.07 73.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.907 0.384 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' HG23 ' C' ' 604' ' ' VAL . 0.6 OUTLIER -65.73 -50.19 65.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.64 -33.75 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -47.86 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 111.663 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.174 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.815 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -60.09 -44.51 94.76 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.97 -45.05 72.31 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.383 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.0 t80 -71.88 -49.77 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 110.273 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -55.38 -59.49 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.331 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 14' ' ' GLN . 34.9 m -55.55 -29.81 25.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.575 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -79.07 -49.23 12.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 16' ' ' TYR . 77.2 t -49.22 -41.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.229 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.81 -42.63 60.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -68.67 -23.31 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -111.41 -38.09 5.07 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 55.91 82.92 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.632 0.253 . . . . 0.0 110.359 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -89.94 170.6 4.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.121 2.547 . . . . 0.0 112.792 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.98 -33.51 6.04 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.413 2.076 . . . . 0.0 111.962 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -132.81 139.52 47.54 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.17 -47.47 43.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.723 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -55.56 -54.24 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.42 -50.14 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.75 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.73 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.4 -43.62 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.419 HG13 HG22 ' B' ' 37' ' ' THR . 94.8 t -65.61 -59.64 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -31.95 16.62 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.078 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.55 -54.39 6.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 9.9 m-85 -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.575 0.226 . . . . 0.0 111.426 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -70.68 -51.43 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -66.63 -29.46 69.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.08 -56.04 24.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.518 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.092 0.472 . . . . 0.0 110.516 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo . . . . . 0 CA--C 1.529 0.251 0 CA-C-O 120.855 0.273 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.76 -28.57 11.99 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.616 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.37 -44.18 72.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.527 0.203 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.6 m -51.21 -41.4 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 111.212 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.89 -48.84 64.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.93 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.76 -55.85 14.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.461 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.47 -38.3 83.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.153 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.444 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 2.8 tt0 -62.2 -40.12 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.37 -31.41 62.77 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.815 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.674 ' O ' HG23 ' B' ' 20' ' ' VAL . 68.3 t80 -79.67 -50.33 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 111.185 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.814 HG21 ' HB3' ' C' ' 600' ' ' ALA . 1.1 p -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -46.0 -41.66 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.408 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 13.4 pt-20 -79.37 -31.81 43.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.674 HG23 ' O ' ' B' ' 16' ' ' TYR . 67.8 t -63.61 -56.77 14.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.263 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -43.33 64.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.065 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -70.75 -23.89 62.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -106.21 -49.3 3.39 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 65.91 82.59 0.2 Allowed Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.436 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.27 168.8 11.57 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.63 2.22 . . . . 0.0 112.616 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.49 -32.71 7.61 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.421 2.081 . . . . 0.0 112.14 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.53 136.36 46.58 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.993 0.425 . . . . 0.0 110.948 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.2 mt -84.14 -27.88 27.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.213 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.72 -41.59 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.049 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.81 -56.12 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.48 -25.24 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.709 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.438 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.03 -38.11 45.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -61.57 -40.35 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.86 -46.75 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.408 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 83.5 t80 -57.18 -52.05 66.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -68.79 -49.68 56.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.629 HG23 ' O ' ' B' ' 33' ' ' VAL . 66.7 p -57.05 -40.57 77.04 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -54.94 -46.25 74.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.313 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.3 mt -72.29 -31.32 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.262 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.376 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.3 -26.72 1.32 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.18 -28.23 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . 0.444 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 46.4 t-105 -80.03 -45.71 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.119 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -56.9 -45.1 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.38 -55.84 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -37.86 19.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 111.2 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.27 -30.72 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.375 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -66.69 -45.2 79.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.297 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.814 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -55.83 -30.76 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.519 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . 0.47 HG12 ' CD ' ' C' ' 605' ' ' LYS . 30.5 t -83.28 -45.16 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.06 -38.42 88.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.879 0.371 . . . . 0.0 110.173 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.27 -57.19 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 10' ' ' THR . 7.1 p -59.88 -26.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.967 0.413 . . . . 0.0 112.062 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . 0.47 ' CD ' HG12 ' C' ' 601' ' ' VAL . 0.3 OUTLIER -75.12 -48.28 24.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.43 76.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.394 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . 0.47 ' O ' ' OG1' ' C' ' 610' ' ' THR . 4.1 pt20 -79.25 -48.18 14.62 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.88 -37.17 5.98 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.804 -0.56 . . . . 0.0 111.659 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . 0.652 ' HA ' HD12 ' C' ' 612' ' ' LEU . 17.7 ptp -72.05 -32.28 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.6 OUTLIER -65.61 -34.28 77.86 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -23.17 66.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' C' ' 609' ' ' MET . 7.0 mt -89.08 -43.76 10.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.394 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.995 179.884 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 111.201 0.074 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.0 mm -45.78 102.59 0.31 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.847 -0.161 . . . . 0.0 110.608 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.73 164.16 1.63 Allowed 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.941 1.761 . . . . 0.0 112.481 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -92.5 157.28 2.99 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.828 2.352 . . . . 0.0 111.948 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -19.26 17.38 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.932 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.48 -47.51 72.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -50.79 72.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.526 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -36.9 77.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.309 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 12' ' ' LEU . 5.1 tp -74.36 -44.97 49.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 111.46 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' C' ' 604' ' ' VAL . 9.0 mp -72.39 -40.3 67.33 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -38.84 83.58 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.721 0.296 . . . . 0.0 110.507 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.87 -45.62 91.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.054 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -69.63 -48.51 59.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.9 m -55.81 -60.42 3.49 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.228 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.74 -26.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.695 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.6 -24.61 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.868 0.366 . . . . 0.0 110.742 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.86 -38.61 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.25 -35.72 71.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.697 0.284 . . . . 0.0 111.311 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -75.31 -29.99 60.2 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -106.99 -52.91 2.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.982 0.42 . . . . 0.0 110.898 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 58.3 57.71 6.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.96 170.16 20.74 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.339 2.026 . . . . 0.0 111.152 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.67 -7.95 22.19 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 122.383 2.055 . . . . 0.0 115.567 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -133.21 118.9 19.17 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.34 0.973 . . . . 0.0 112.003 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 mt -81.97 -39.29 23.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.456 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -37.31 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -70.97 -48.24 54.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.34 -54.68 10.47 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.336 0.589 . . . . 0.0 110.836 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB1' ' CG ' ' B' ' 36' ' ' PHE . . . -46.74 -46.61 20.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 37' ' ' THR . 95.4 t -68.15 -60.15 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.29 -32.02 23.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.13 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -78.78 -57.9 3.52 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -63.59 -28.22 69.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' CG2' ' B' ' 33' ' ' VAL . 40.8 p -71.6 -55.21 8.21 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.792 0.33 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -54.51 -52.01 63.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tt -48.48 -56.39 8.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.831 179.481 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo . . . . . 0 CA--C 1.53 0.314 0 N-CA-C 112.962 0.332 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.35 -31.08 8.88 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.116 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.407 HD13 ' C ' ' B' ' 9' ' ' LEU . 3.1 tm? -53.96 -42.99 69.53 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.721 -0.282 . . . . 0.0 110.806 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.4 m -52.86 -41.78 64.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.398 . . . . 0.0 111.04 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.74 -41.46 87.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.2 mm? -56.15 -53.25 59.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.64 0.257 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.72 -43.32 94.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 109.888 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.421 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 0.6 OUTLIER -62.57 -45.08 94.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.23 61.65 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.209 -0.52 . . . . 0.0 113.052 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -79.42 -46.64 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.489 HG21 ' HB3' ' C' ' 600' ' ' ALA . 5.8 m -54.39 -40.91 68.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -60.67 -28.01 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.806 0.336 . . . . 0.0 111.578 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.62 -47.43 17.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.256 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' B' ' 24' ' ' GLN . 38.1 t -50.75 -47.74 28.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.125 0.488 . . . . 0.0 110.17 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.02 -40.79 96.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.976 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -77.01 -28.18 54.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -107.96 -47.11 3.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 20' ' ' VAL . 26.9 mm-40 66.38 66.05 0.76 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.57 159.92 47.77 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.804 2.336 . . . . 0.0 112.447 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.77 -40.35 55.13 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.142 1.894 . . . . 0.0 111.906 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -132.6 130.92 40.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.36 -51.17 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.619 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -48.72 -33.17 4.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 121.052 0.453 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.47 -55.82 5.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.335 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.38 -25.64 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.92 23.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -55.0 -33.82 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.91 0.386 . . . . 0.0 111.06 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -78.29 -45.39 22.86 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.13 -48.03 81.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.476 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 44.0 m-85 -67.15 -39.03 86.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.528 0.204 . . . . 0.0 111.459 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.595 HG23 ' O ' ' B' ' 33' ' ' VAL . 32.7 p -65.75 -33.85 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.946 0.403 . . . . 0.0 110.486 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -59.87 -39.93 86.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.866 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -68.47 -55.94 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.555 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.841 179.73 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -48.55 -32.33 7.86 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.69 -27.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . 0.421 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 56.5 t-105 -79.38 -45.81 18.8 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.723 0.297 . . . . 0.0 111.355 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -57.03 -46.22 82.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -67.53 -59.87 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.2 -36.08 18.84 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -38.9 89.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -61.03 -43.5 98.79 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.489 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.91 -43.71 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' C' ' 605' ' ' LYS . 15.2 t -72.47 -41.7 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.89 -45.21 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.674 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.96 -54.33 32.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 13' ' ' LEU . 2.5 p -67.65 -27.16 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' C' ' 601' ' ' VAL . 0.0 OUTLIER -75.29 -52.33 11.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.944 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -24.06 62.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.936 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.47 -50.76 11.07 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.24 -29.3 2.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.331 0.514 . . . . 0.0 112.324 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -32.56 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.315 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 3.1 m -66.02 -40.26 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -62.39 -26.03 68.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.308 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.05 -26.21 21.53 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.78 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.552 -179.771 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.553 HD13 HD11 ' B' ' 21' ' ' LEU . 24.8 mm -46.84 103.71 0.37 Allowed Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.413 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -53.9 117.34 3.76 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.242 1.961 . . . . 0.0 112.647 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -47.34 146.22 7.33 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.746 1.631 . . . . 0.0 111.814 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.67 -24.3 10.8 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.223 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.22 -53.83 44.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 117.051 0.426 . . . . 0.0 111.049 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -40.16 65.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.14 -34.83 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.82 -44.51 69.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.49 -27.28 64.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 18' ' ' VAL . 2.1 tt0 -65.72 -43.88 87.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.13 70.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.806 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -68.31 -46.15 71.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -56.74 -59.8 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 14' ' ' GLN . 33.3 m -54.86 -34.47 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.53 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.98 -31.76 68.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.52 -38.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.761 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.4 mt -73.48 -30.23 63.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -85.28 -25.73 27.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -112.03 -43.66 3.55 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 63.83 75.01 0.4 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.698 0.285 . . . . 0.0 110.486 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.37 166.66 27.15 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.554 2.169 . . . . 0.0 112.379 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.95 -35.04 12.79 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.415 2.077 . . . . 0.0 112.421 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -132.82 145.37 50.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 111.149 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -82.7 -48.01 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.32 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 30' ' ' GLU . 12.7 p -58.4 -44.98 89.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 29' ' ' VAL . 25.1 tt0 -63.99 -47.94 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.59 -29.5 70.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.749 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.07 85.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.98 -59.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.67 -34.2 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.852 0.358 . . . . 0.0 110.745 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -78.19 -53.62 7.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.709 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -67.12 -48.98 66.44 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 p -52.83 -54.73 30.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.89 0.376 . . . . 0.0 110.813 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -34.28 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.691 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.56 -56.17 25.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.358 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.027 0.441 . . . . 0.0 111.005 179.379 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 N--CA 1.461 -0.415 0 CA-C-O 120.704 0.21 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.83 -36.91 3.29 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.964 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.447 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.9 tt -46.61 -49.06 19.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.428 HG23 HG11 ' C' ' 601' ' ' VAL . 25.9 m -49.92 -38.76 37.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 110.116 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.21 -36.89 85.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.333 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.79 -55.24 15.8 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.683 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.17 -34.39 73.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.354 0.597 . . . . 0.0 109.577 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.456 ' HB2' HG21 ' C' ' 601' ' ' VAL . 1.1 tm0? -72.9 -45.73 56.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.204 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.18 -28.49 54.42 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.47 ' O ' HG23 ' B' ' 20' ' ' VAL . 48.1 t80 -79.86 -45.83 17.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.366 . . . . 0.0 111.273 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.638 HG21 ' HB3' ' C' ' 600' ' ' ALA . 6.2 p -54.31 -55.45 28.19 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -46.06 -34.8 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.889 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -79.48 -48.56 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.439 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 16' ' ' TYR . 82.7 t -54.23 -53.77 26.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.553 HD11 HD13 ' A' ' 5' ' ' ILE . 2.1 mm? -56.11 -42.99 77.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.123 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.402 ' HB2' HD12 ' C' ' 593' ' ' ILE . 2.4 tmm_? -85.45 -22.98 28.04 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -95.08 -38.69 10.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 0.0 111.059 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 55.61 80.32 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.704 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -85.03 163.92 11.59 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.739 2.293 . . . . 0.0 112.713 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.43 -37.65 4.12 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.335 2.023 . . . . 0.0 111.849 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -132.6 136.61 46.64 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 mt -75.74 -42.49 50.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.11 -40.86 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -75.69 -40.43 55.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -71.64 -29.02 64.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.86 -52.6 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.665 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.648 ' O ' ' OG1' ' B' ' 37' ' ' THR . 6.1 p -51.73 -50.28 32.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.432 ' N ' HG13 ' B' ' 33' ' ' VAL . 82.1 mt-10 -59.63 -39.42 84.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -62.48 -48.53 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -75.79 -46.82 28.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.648 ' OG1' ' O ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER -62.16 -26.37 68.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 111.194 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -39.31 37.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.202 0.525 . . . . 0.0 109.872 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.89 -49.07 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.344 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.744 -179.55 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.4 -28.69 3.39 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' B' ' 22' ' ' ARG . 35.2 mm -74.68 -28.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.466 0.174 . . . . 0.0 111.459 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -79.96 -47.26 15.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -55.51 -43.07 75.34 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.17 -59.58 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.31 -42.92 42.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -30.77 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.009 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -40.62 90.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.638 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -56.77 -31.97 65.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.693 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . 0.456 HG21 ' HB2' ' B' ' 14' ' ' GLN . 15.8 t -82.98 -42.88 18.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 109.979 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -75.64 -56.23 4.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.452 HG12 ' O ' ' C' ' 600' ' ' ALA . 9.7 p -63.63 -27.81 43.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -44.1 43.35 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.248 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -63.19 -26.5 68.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -55.62 5.09 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.99 -32.81 2.97 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -64.16 -31.48 72.69 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.353 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 94.0 m -66.84 -37.63 84.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -58.92 -25.68 63.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.271 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.37 -56.28 3.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.173 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.712 -179.492 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' HG3' ' C' ' 596' ' ' LYS . 1.0 OUTLIER -47.72 108.58 0.92 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.58 110.31 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.549 2.166 . . . . 0.0 112.83 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.33 151.99 2.54 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.131 1.888 . . . . 0.0 111.847 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -21.94 4.0 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.024 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.09 -43.62 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.988 0.394 . . . . 0.0 111.343 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.91 -41.99 64.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.06 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.63 -34.6 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.37 -45.18 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' HB3' HG11 ' C' ' 604' ' ' VAL . 7.3 mp -70.15 -32.7 70.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.603 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 18' ' ' VAL . 2.8 tt0 -58.24 -45.12 88.33 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -44.72 68.08 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.138 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -72.49 -47.07 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -57.33 -59.87 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 14' ' ' GLN . 27.0 m -49.84 -26.12 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.2 -34.81 59.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -36.65 78.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.443 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.79 -40.91 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.188 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -82.17 -23.03 35.76 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -52.23 2.79 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 66.56 87.63 0.12 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.235 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -93.53 164.5 2.34 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.393 2.729 . . . . 0.0 112.954 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -82.1 -26.32 2.94 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.572 2.182 . . . . 0.0 112.562 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.39 137.68 47.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.021 0.439 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.19 -51.3 10.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.265 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 30' ' ' GLU . 9.3 p -56.83 -41.79 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.595 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 29' ' ' VAL . 56.8 mt-10 -68.79 -49.38 59.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 0.0 110.752 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -63.05 -25.21 68.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.748 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.07 -44.4 26.41 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 37' ' ' THR . 2.4 p -72.14 -34.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.87 -34.34 77.57 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.136 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -78.88 -46.85 17.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.73 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.67 -48.93 67.79 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.466 HG22 ' CG1' ' B' ' 33' ' ' VAL . 40.8 p -53.0 -55.12 26.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -46.69 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.36 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tt -48.48 -56.25 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.701 0.286 . . . . 0.0 111.126 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo . . . . . 0 CA--C 1.529 0.267 0 N-CA-C 113.029 0.357 . . . . 0.0 113.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.66 -29.54 2.12 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.64 -40.12 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.444 0.164 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.418 HG23 ' HE3' ' C' ' 605' ' ' LYS . 15.2 m -52.13 -44.01 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.599 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.23 -39.78 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.548 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.47 -57.59 12.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.931 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.32 -34.55 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.017 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -70.65 -33.34 70.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.245 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.426 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -68.03 -32.44 76.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.307 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -80.25 -45.76 17.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.794 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.603 HG22 HD23 ' B' ' 21' ' ' LEU . 2.1 m -59.16 -32.37 69.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 15' ' ' GLY . 3.4 m -59.6 -25.95 33.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -77.99 -53.82 6.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' B' ' 17' ' ' THR . 30.0 m -55.95 -40.43 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 121.044 0.45 . . . . 0.0 110.405 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.603 HD23 HG22 ' B' ' 17' ' ' THR . 2.4 mm? -59.02 -40.88 86.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.351 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -72.18 -44.27 63.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -105.22 -46.02 4.35 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 20' ' ' VAL . 5.6 mm-40 73.46 73.47 0.23 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.094 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.73 170.57 9.77 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.545 2.163 . . . . 0.0 112.839 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.05 -30.01 7.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.684 2.256 . . . . 0.0 112.522 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.4 131.73 42.1 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.116 0.484 . . . . 0.0 111.126 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.28 -48.55 15.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.756 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.418 ' O ' HG23 ' B' ' 33' ' ' VAL . 12.3 p -59.16 -41.03 82.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -66.31 -56.33 11.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.94 0.4 . . . . 0.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.92 -25.08 56.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.989 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.78 34.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.488 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -57.37 -59.44 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.932 -179.339 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -52.93 -40.33 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.624 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -63.01 -49.59 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.53 -25.37 65.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.5 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.488 HG23 ' O ' ' B' ' 33' ' ' VAL . 71.8 p -77.08 -40.75 44.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.055 0.455 . . . . 0.0 110.207 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -57.17 -43.41 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.28 -49.52 73.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.713 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.751 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.53 -30.63 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.76 -27.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 61.7 t-105 -79.47 -43.8 22.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.124 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -58.6 -45.03 90.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . 0.401 ' HG3' HD12 ' A' ' 5' ' ' ILE . 9.2 tptt -63.85 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -33.47 10.22 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -65.27 -34.09 77.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.678 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -45.79 74.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.5 -33.61 55.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 65.7 t -83.16 -41.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.93 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.905 0.383 . . . . 0.0 110.16 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.91 -55.82 12.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 13' ' ' LEU . 11.3 p -61.98 -26.41 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 2.1 ttmm -71.59 -51.84 21.22 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.477 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -27.04 67.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.592 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -79.33 -55.5 5.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.238 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.8 -34.92 9.24 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.819 -0.551 . . . . 0.0 111.986 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 6.1 ptm -65.74 -33.75 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -39.76 77.4 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.22 -26.61 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.392 0.615 . . . . 0.0 110.025 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -37.5 14.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.722 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.148 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 . . . . . 0 N--CA 1.46 0.05 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.3 mm -50.18 105.94 0.58 Allowed Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.764 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -52.7 152.15 17.6 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.233 1.955 . . . . 0.0 112.502 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.45 149.83 16.88 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.443 2.095 . . . . 0.0 111.95 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.67 -21.71 7.29 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.37 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -46.48 81.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.773 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -57.68 -41.56 81.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.38 -30.93 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.517 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.68 62.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 111.295 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.62 -30.15 66.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.566 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.7 tt0 -64.39 -42.96 95.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.4 -45.49 75.47 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.877 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.827 ' O ' HG23 ' A' ' 20' ' ' VAL . 50.0 t80 -70.47 -48.53 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 111.034 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -52.91 -59.93 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 14' ' ' GLN . 26.9 m -54.2 -30.85 21.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -78.48 -42.71 28.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.532 0.206 . . . . 0.0 111.262 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 16' ' ' TYR . 25.4 t -54.22 -41.62 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.27 -37.48 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.235 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -60.24 -34.08 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -112.49 -27.54 8.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 55.06 82.88 0.23 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.491 0.186 . . . . 0.0 110.578 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.29 169.7 13.97 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.586 2.19 . . . . 0.0 112.59 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.35 -31.64 8.97 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.53 2.153 . . . . 0.0 112.269 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -132.62 141.35 48.62 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.14 0.495 . . . . 0.0 110.944 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mt -86.11 -30.41 22.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG22 ' HG2' ' B' ' 40' ' ' ARG . 7.4 p -72.51 -41.59 63.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.49 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 29' ' ' VAL . 10.5 tm-20 -70.42 -56.08 7.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.733 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.75 -25.44 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.697 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.19 -41.86 69.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.35 -59.22 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.03 -33.63 11.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.821 0.343 . . . . 0.0 111.309 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -78.51 -48.55 15.08 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.77 -48.48 37.94 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -52.89 -51.53 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 111.109 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -54.38 -53.05 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -56.02 9.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.491 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HG2' ' CG1' ' B' ' 29' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.86 0.362 . . . . 0.0 111.093 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo . . . . . 0 CA--C 1.528 0.209 0 CA-C-O 120.753 0.231 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.25 2.16 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.416 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.26 -46.73 36.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.58 0.229 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 m -54.53 -46.63 73.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.414 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.0 -37.63 88.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.463 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.1 mm? -62.47 -48.46 79.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.27 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.12 -28.37 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.93 -43.24 75.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.32 -31.42 69.79 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.217 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -79.39 -49.23 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.766 0.317 . . . . 0.0 111.387 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.483 HG21 ' HB3' ' C' ' 600' ' ' ALA . 2.7 p -52.23 -58.45 6.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.695 0.283 . . . . 0.0 111.661 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.77 -40.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.412 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 15.5 pt-20 -79.05 -33.11 45.0 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.041 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' B' ' 24' ' ' GLN . 24.9 t -62.14 -51.96 66.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.059 0.457 . . . . 0.0 110.005 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.12 -50.4 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -68.94 -23.47 64.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.23 -45.33 3.95 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 20' ' ' VAL . 53.1 mm-40 63.71 86.51 0.14 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.133 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -86.22 166.48 9.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.74 2.293 . . . . 0.0 112.891 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.41 -38.33 4.74 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.331 2.02 . . . . 0.0 111.471 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -132.54 131.9 42.03 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.337 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.69 -23.33 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.57 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.544 ' CG1' ' HG2' ' A' ' 40' ' ' ARG . 5.2 t -70.36 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 111.366 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.09 -44.35 80.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.721 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -55.86 -27.35 51.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.738 0.304 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.77 -34.69 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.188 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.35 -56.8 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 110.528 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -57.47 -33.73 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.412 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 78.4 t80 -71.82 -50.23 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -71.07 -24.81 62.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -82.3 -34.94 28.43 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.88 71.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.118 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -47.25 20.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.255 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.427 ' HG2' HG22 ' A' ' 29' ' ' VAL . 4.4 mmm180 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -45.4 -29.47 1.09 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 8.1 mm -74.91 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.604 0.24 . . . . 0.0 110.749 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . 0.533 ' CD2' ' OE2' ' C' ' 598' ' ' GLU . 51.1 t-105 -79.59 -50.53 10.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.738 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.44 -44.05 75.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.816 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -54.88 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.78 -37.75 19.96 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.008 -0.432 . . . . 0.0 111.5 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -67.22 -34.84 78.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.126 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.483 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -56.58 -28.58 60.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 12.9 t -83.29 -44.86 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.923 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -64.91 -33.75 76.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -55.99 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.481 HG12 ' O ' ' C' ' 600' ' ' ALA . 7.5 p -63.35 -29.32 46.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -44.2 41.9 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -60.55 -26.66 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -54.08 6.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.98 -36.9 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.993 -0.442 . . . . 0.0 112.181 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . 0.558 ' HA ' HD12 ' C' ' 612' ' ' LEU . 14.0 ptp -67.8 -35.53 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.71 78.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.27 -27.82 69.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.717 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' C' ' 609' ' ' MET . 10.0 mt -84.29 -31.59 24.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.249 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.939 179.454 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -45.57 106.13 0.53 Allowed Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.901 179.444 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.17 119.64 5.68 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.355 2.037 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.98 147.39 3.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.955 1.77 . . . . 0.0 111.802 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.67 24.96 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.804 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.437 HD21 HG23 ' B' ' 17' ' ' THR . 0.5 OUTLIER -60.23 -37.71 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -65.2 -47.31 77.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.57 -29.57 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.69 -39.99 66.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.7 0.286 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.0 mt -75.94 -29.4 58.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.752 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -47.15 78.16 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.379 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.64 -42.71 67.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.749 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.832 ' O ' HG23 ' A' ' 20' ' ' VAL . 45.4 t80 -73.45 -48.04 36.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.7 m -51.37 -59.74 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.766 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 p -57.12 -31.78 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.862 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' OE1' ' CZ ' ' A' ' 31' ' ' PHE . 3.7 tt0 -73.82 -45.06 53.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 16' ' ' TYR . 41.6 t -53.84 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.49 -34.9 60.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.822 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -68.79 -34.51 75.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -104.14 -29.61 10.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 56.97 82.55 0.24 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.765 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -84.99 162.62 11.74 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.59 -27.32 6.3 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.464 2.109 . . . . 0.0 112.062 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -132.43 137.35 47.26 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -83.25 -37.18 23.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.66 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 30' ' ' GLU . 9.0 p -65.4 -42.13 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.534 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 29' ' ' VAL . 7.8 tp10 -73.31 -50.16 23.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.06 0.457 . . . . 0.0 110.776 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.405 ' CZ ' ' OE1' ' A' ' 19' ' ' GLU . 43.1 t80 -59.25 -25.05 63.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.376 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -74.94 -44.59 47.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -28.78 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.18 -33.6 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -78.76 -38.9 37.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.78 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.9 -52.63 9.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.4 p -52.76 -55.07 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.263 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -49.96 -52.04 36.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.36 -55.51 10.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.347 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.832 179.377 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo . . . . . 0 N--CA 1.458 -0.564 0 N-CA-C 112.732 0.243 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.62 6.66 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.966 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -47.71 -50.21 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.512 0.196 . . . . 0.0 111.192 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.9 m -54.41 -46.35 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.365 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.45 -41.05 96.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.117 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.0 mm? -60.42 -57.44 12.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.517 0.199 . . . . 0.0 111.292 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.46 -32.94 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.72 -45.17 60.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.888 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' HG12 ' B' ' 18' ' ' VAL . . . -56.16 -35.72 65.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.784 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 63.0 t80 -79.87 -45.25 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.437 HG23 HD21 ' A' ' 9' ' ' LEU . 89.0 m -58.14 -37.78 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.182 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 15' ' ' GLY . 0.3 OUTLIER -62.47 -29.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.84 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.11 -43.37 24.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.36 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' GLN . 21.5 t -57.8 -41.09 78.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.228 0.537 . . . . 0.0 110.29 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' C' ' 597' ' ' ALA . 11.3 mt -61.15 -49.49 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.384 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -67.9 -27.81 66.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -109.57 -51.82 2.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 20' ' ' VAL . 44.9 mt-30 66.05 86.5 0.13 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.288 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' B' ' 20' ' ' VAL . 63.6 Cg_endo -86.32 173.7 6.46 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.933 2.422 . . . . 0.0 112.549 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.42 -27.58 11.07 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.429 2.086 . . . . 0.0 112.407 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.5 138.59 47.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.151 0.5 . . . . 0.0 110.831 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -83.66 -38.42 21.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.235 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.38 -39.5 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.654 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -70.88 -56.45 6.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.84 0.352 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -56.77 -25.02 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.416 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -74.22 -41.67 60.99 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.502 ' O ' HG23 ' B' ' 37' ' ' THR . 53.3 t -60.27 -59.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -50.9 -33.11 22.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -68.73 -49.73 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.22 -36.04 69.03 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.439 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.502 HG23 ' O ' ' B' ' 33' ' ' VAL . 58.7 p -63.71 -43.53 96.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.228 0.537 . . . . 0.0 109.972 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -40.6 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.25 -53.47 10.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.588 -179.426 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -47.58 -26.76 1.56 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.48 -28.64 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -80.12 -46.57 16.21 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.776 0.322 . . . . 0.0 111.585 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -57.03 -43.78 82.27 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -66.73 -59.6 3.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' B' ' 21' ' ' LEU . . . -49.14 -36.34 18.88 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.65 -34.39 77.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.556 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.13 -46.58 73.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.558 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.76 43.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.5 t -74.42 -37.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.7 -39.46 94.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.63 -56.49 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -26.87 38.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -75.05 -47.79 27.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.139 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -62.49 -23.96 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.34 -58.95 2.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.438 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.92 -31.33 2.13 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 14.5 ptp -72.45 -33.14 66.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.655 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -48.49 71.86 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.0 -20.39 57.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.117 0.484 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.21 -44.07 10.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.227 -179.753 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.705 HD13 HD11 ' B' ' 21' ' ' LEU . 39.8 mm -49.58 108.01 0.9 Allowed Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -52.39 163.91 1.53 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.111 1.874 . . . . 0.0 112.873 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -93.18 149.08 2.49 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.959 2.44 . . . . 0.0 111.376 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.17 17.61 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.59 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.788 HD12 HD11 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -49.28 -60.46 2.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 111.147 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -48.62 -45.74 38.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.687 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.49 -35.76 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.71 -44.05 51.98 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.66 ' HB2' HG21 ' C' ' 604' ' ' VAL . 11.9 mt -71.81 -34.89 69.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.704 0.288 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.535 ' N ' HG21 ' C' ' 604' ' ' VAL . 0.2 OUTLIER -59.89 -41.34 91.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.105 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.42 -45.6 83.2 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.325 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -70.19 -47.82 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.809 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -55.41 -57.97 9.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.099 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.97 -33.39 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.499 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.72 -42.84 39.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.908 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 24' ' ' GLN . 15.2 t -54.95 -39.33 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.631 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.36 -42.36 59.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -66.19 -23.2 66.41 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -112.87 -44.83 3.25 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . 29.7 mm-40 63.56 79.13 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.47 172.38 9.3 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.824 2.35 . . . . 0.0 112.603 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -74.71 -31.64 6.55 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.5 2.133 . . . . 0.0 112.413 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.76 132.18 41.97 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.036 0.446 . . . . 0.0 110.97 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -76.95 -55.95 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.409 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -49.18 -38.59 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.683 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -68.51 -56.13 9.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.488 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.67 -25.13 16.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.826 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.475 ' CB ' ' CE1' ' B' ' 36' ' ' PHE . . . -73.11 -45.37 57.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -68.2 -35.53 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.142 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.91 -36.56 82.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.931 0.396 . . . . 0.0 110.355 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -79.02 -48.96 13.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -68.91 -48.17 63.96 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 33' ' ' VAL . 68.4 p -54.58 -48.58 71.93 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.043 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -50.0 -55.86 12.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -44.39 64.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo . . . . . 0 N--CA 1.459 -0.504 0 CA-C-O 120.843 0.268 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.8 -26.68 16.9 Favored Glycine 0 C--N 1.335 0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.67 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.408 HD11 HG11 ' A' ' 20' ' ' VAL . 1.4 tt -52.72 -45.81 67.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.472 0.177 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.551 HG23 ' HE2' ' C' ' 605' ' ' LYS . 1.1 m -54.54 -49.14 70.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.133 0.492 . . . . 0.0 110.673 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.41 -29.58 66.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.442 HD12 ' HB3' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -68.61 -57.7 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.08 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.487 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 31.5 mt-30 -70.49 -39.76 74.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.03 82.86 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.009 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -79.5 -46.09 18.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.637 HG21 ' HB3' ' C' ' 600' ' ' ALA . 0.5 OUTLIER -55.7 -53.84 51.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.401 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.03 -31.05 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.491 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -53.3 7.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.548 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -56.56 -43.01 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.291 0.567 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.705 HD11 HD13 ' A' ' 5' ' ' ILE . 3.5 mm? -56.9 -49.63 74.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.647 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.425 ' HB3' HD12 ' C' ' 593' ' ' ILE . 21.1 ptt85 -85.67 -22.83 27.7 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -96.93 -47.62 5.75 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 111.411 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.66 83.72 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -85.69 171.18 8.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.762 2.308 . . . . 0.0 112.803 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -73.97 -33.29 6.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.596 2.197 . . . . 0.0 112.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -132.8 144.72 50.42 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.041 0.448 . . . . 0.0 110.779 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.788 HD11 HD12 ' A' ' 9' ' ' LEU . 1.8 mm? -82.92 -42.83 17.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.759 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -57.94 -56.57 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.326 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.11 -56.47 20.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -57.24 -27.64 62.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.71 -47.1 19.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.58 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 37' ' ' THR . 78.9 t -59.53 -59.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -52.98 -45.17 67.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.006 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 32' ' ' ALA . 5.0 m-85 -64.18 -42.8 96.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 33' ' ' VAL . 65.4 p -61.64 -41.02 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.909 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -55.77 -44.78 78.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.655 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tt -67.79 -55.91 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.26 179.734 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -46.07 -30.34 1.84 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 593' ' ' ILE . . . . . 0.425 HD12 ' HB3' ' B' ' 22' ' ' ARG . 47.3 mm -75.77 -28.52 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 594' ' ' TRP . . . . . 0.487 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 73.3 t-105 -80.81 -48.03 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -58.68 -42.14 87.83 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.57 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -66.9 -60.48 2.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.09 -34.69 14.39 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.7 -31.73 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -70.21 -45.92 65.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.408 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 600' ' ' ALA . . . . . 0.637 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.71 -32.63 52.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 41.3 t -82.78 -38.01 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.44 -35.56 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -57.0 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 604' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 13' ' ' LEU . 8.9 p -60.29 -26.74 37.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.899 0.381 . . . . 0.0 111.896 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 605' ' ' LYS . . . . . 0.551 ' HE2' HG23 ' B' ' 10' ' ' THR . 18.9 mttm -72.72 -50.06 27.1 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -25.12 68.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.012 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 607' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' C' ' 610' ' ' THR . 18.2 mt-30 -79.97 -57.48 3.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.89 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.884 -0.51 . . . . 0.0 112.341 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -67.19 -33.52 75.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 610' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -70.6 -38.2 73.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.02 -27.47 69.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.394 0.616 . . . . 0.0 109.863 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.82 -55.67 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.574 -178.731 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.078 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -58.97 -173.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.733 0.302 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 15.4 ptp -139.89 -45.18 0.43 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 168.24 162.91 21.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.436 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 68.0 m -74.27 -7.19 51.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.606 0.241 . . . . 0.0 111.384 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 11.1 tpt -53.0 -26.93 16.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.753 0.311 . . . . 0.0 111.271 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 72.0 p -167.08 120.06 0.97 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.988 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -150.91 103.26 3.05 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.561 ' O ' ' O ' ' A' ' 4' ' ' GLN . 31.9 mt -125.2 -54.66 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.473 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.561 ' O ' ' O ' ' A' ' 3' ' ' ILE . 18.1 pt20 38.98 119.01 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 41.7 mm -46.26 104.65 0.41 Allowed Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.22 154.17 19.41 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.06 1.84 . . . . 0.0 112.465 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -82.13 156.44 17.39 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.456 2.104 . . . . 0.0 112.211 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.04 -21.57 7.86 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.372 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -29.26 66.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 117.016 0.408 . . . . 0.0 110.789 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -47.57 69.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.859 -179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -68.44 -31.19 70.33 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.52 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.17 -46.17 71.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.636 0.255 . . . . 0.0 111.452 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.699 ' HB2' HG21 ' C' ' 604' ' ' VAL . 63.3 mt -73.43 -32.15 64.23 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.086 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' N ' HG21 ' C' ' 604' ' ' VAL . 0.0 OUTLIER -58.58 -47.23 84.99 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.333 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.51 -48.09 55.88 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.88 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 49.7 t80 -70.43 -49.12 52.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.054 0.454 . . . . 0.0 110.635 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.71 ' O ' HD12 ' A' ' 21' ' ' LEU . 9.4 m -57.18 -59.88 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.105 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.12 -29.53 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -77.48 -33.04 54.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.622 0.249 . . . . 0.0 111.419 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.522 HG11 HD13 ' B' ' 9' ' ' LEU . 0.3 OUTLIER -62.34 -39.28 83.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.537 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 17' ' ' THR . 2.9 mp -75.67 -47.57 25.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -50.62 -36.06 33.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.956 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -107.63 -29.39 9.18 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 56.31 71.24 1.23 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.679 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -77.65 165.25 27.21 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.766 2.31 . . . . 0.0 112.388 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -88.56 -16.24 2.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.695 2.263 . . . . 0.0 113.694 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -132.28 140.58 48.67 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 121.21 0.529 . . . . 0.0 111.617 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD22 HD12 ' B' ' 9' ' ' LEU . 12.3 mt -92.39 -43.84 9.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.55 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 t -60.34 -45.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.12 -55.87 7.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.266 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.427 ' CD2' ' CE1' ' A' ' 16' ' ' TYR . 66.3 t80 -54.85 -25.6 29.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.409 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -73.32 -52.1 15.12 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.495 HG21 HG22 ' B' ' 37' ' ' THR . 9.0 p -70.29 -29.16 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.61 -38.53 73.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -78.69 -44.34 23.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -71.13 -51.09 26.96 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 68.6 p -55.47 -51.99 65.1 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.222 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -53.32 -50.56 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.769 0.318 . . . . 0.0 110.485 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.39 -52.94 19.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.645 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -61.3 -56.42 20.67 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.226 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -50.15 -24.79 2.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.608 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.55 -29.49 1.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.695 0.283 . . . . 0.0 111.548 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 168.59 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 111.213 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.653 179.184 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -169.35 -55.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.704 0.287 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 13.7 ptp -99.12 30.98 3.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 175.61 80.2 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.649 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 3.2 m -171.1 98.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 110.75 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . 0.439 ' O ' ' CB ' ' B' ' -1' ' ' SER . 93.1 mmm -143.87 34.53 1.25 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.829 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' B' ' -2' ' ' MET . 0.9 OUTLIER 86.02 -30.87 0.05 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.18 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.587 ' O ' ' HB ' ' B' ' 3' ' ' ILE . 2.3 p-80 -130.06 22.31 5.31 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.327 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.587 ' HB ' ' O ' ' B' ' 2' ' ' HIS . 4.0 mm 83.02 -87.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.604 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.441 ' N ' HG22 ' B' ' 3' ' ' ILE . 7.9 pt20 180.0 69.71 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.54 HG23 HD22 ' B' ' 9' ' ' LEU . 2.1 mp -68.7 116.23 38.65 Favored Pre-proline 0 CA--C 1.537 0.463 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -46.05 117.86 2.1 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.274 1.983 . . . . 0.0 112.356 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_exo -44.53 139.22 7.2 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.307 2.005 . . . . 0.0 112.779 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.8 15.68 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.423 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.54 HD22 HG23 ' B' ' 5' ' ' ILE . 0.9 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.675 0.274 . . . . 0.0 110.663 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.1 m -55.56 -47.06 76.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.98 0.419 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -67.26 -39.23 86.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.733 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.24 -51.83 67.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.5 0.19 . . . . 0.0 110.918 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.407 HD13 ' HG ' ' B' ' 9' ' ' LEU . 7.9 mp -63.15 -34.6 77.98 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -46.68 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.878 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.72 43.09 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.674 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -80.62 -47.56 13.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 0.0 111.302 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.5 m -54.7 -47.72 73.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.981 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 ' CB ' ' C' ' 597' ' ' ALA . 27.0 m -51.46 -31.4 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.133 0.492 . . . . 0.0 111.023 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.439 ' OE1' ' CE2' ' B' ' 31' ' ' PHE . 18.1 tt0 -76.01 -42.07 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.475 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' B' ' 24' ' ' GLN . 48.8 t -60.09 -47.38 92.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.454 HD22 HG22 ' A' ' 3' ' ' ILE . 13.3 mt -57.42 -49.4 76.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.067 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -84.77 -22.81 29.46 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -97.4 -45.42 6.46 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.949 0.404 . . . . 0.0 111.181 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 20' ' ' VAL . 41.3 mm-40 57.7 85.98 0.17 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.659 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.49 169.04 5.96 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.103 2.535 . . . . 0.0 112.731 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.98 -37.56 6.13 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.269 1.979 . . . . 0.0 111.559 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -133.01 134.07 43.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.591 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.6 mt -73.13 -44.18 60.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.407 HG13 ' N ' ' B' ' 30' ' ' GLU . 10.1 p -63.12 -44.24 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.664 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' HG13 ' B' ' 29' ' ' VAL . 15.0 tt0 -70.94 -33.9 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.439 ' CE2' ' OE1' ' B' ' 19' ' ' GLU . 39.9 t80 -72.24 -29.19 63.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.896 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.87 -52.55 8.7 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.855 ' O ' HG23 ' B' ' 37' ' ' THR . 10.6 m -45.99 -43.92 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.513 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -72.99 -35.63 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.72 -39.15 90.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.295 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -77.51 -34.54 54.02 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.855 HG23 ' O ' ' B' ' 33' ' ' VAL . 69.3 p -66.92 -43.2 83.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.111 0.482 . . . . 0.0 110.046 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' B' ' 42' ' ' ALA . 91.2 mtt180 -60.9 -39.99 91.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.422 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.05 -55.9 29.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -68.09 -56.82 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.459 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -52.81 -24.67 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.592 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' B' ' 38' ' ' ARG . . . -70.96 -38.71 72.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.655 0.264 . . . . 0.0 111.322 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -121.5 -168.68 1.73 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.111 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.332 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 31.9 ttp -169.51 -59.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -169.28 32.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -99.45 75.44 1.96 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . 0.406 HG23 ' N ' ' C' ' 583' ' ' GLY . 14.7 tt -68.76 -41.05 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . 0.406 ' N ' HG23 ' C' ' 582' ' ' ILE . . . -85.53 -151.22 15.45 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.566 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 77.5 p -171.35 112.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -57.13 -59.8 4.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 8.2 p 59.43 -164.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.829 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 91.23 -53.22 3.18 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.552 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -175.94 -169.71 0.35 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.563 0.221 . . . . 0.0 110.556 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' C' ' 590' ' ' PRO . 20.9 t 74.7 118.87 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.907 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . 0.432 ' O ' ' O ' ' C' ' 589' ' ' VAL . 60.7 Cg_exo -53.13 -156.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.539 2.159 . . . . 0.0 112.964 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 -78.87 0.38 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.845 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -51.22 -24.73 4.62 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 27.5 mm -73.47 -28.15 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -80.22 -48.49 13.02 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -57.31 -44.86 84.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -64.63 -59.46 4.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' B' ' 18' ' ' VAL . . . -48.98 -34.74 13.64 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.75 -35.88 81.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.549 0.214 . . . . 0.0 110.806 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.77 -46.2 79.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -52.58 -45.57 66.53 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 38.2 t -69.64 -38.08 75.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -65.58 -37.99 88.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.917 0.389 . . . . 0.0 110.052 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.1 -57.17 7.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.927 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 13' ' ' LEU . 11.5 p -61.17 -26.92 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 N-CA-C 112.098 0.406 . . . . 0.0 112.098 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -72.53 -47.58 47.21 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -67.77 -24.92 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.481 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -59.37 2.77 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.64 -31.45 2.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.945 -0.472 . . . . 0.0 111.854 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -31.85 71.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.289 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 2.8 m -67.73 -41.07 84.04 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.29 -23.83 57.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.0 109.941 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.44 HD11 HD13 ' A' ' 21' ' ' LEU . 61.9 mt -86.84 -47.51 8.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.787 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -50.52 -26.57 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.231 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 19.98 12.74 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.277 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.636 -179.757 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -170.74 138.07 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.667 0.27 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 26.2 tpp 71.73 30.86 2.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.404 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 61.16 173.89 1.23 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 69.4 m -66.38 -43.74 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.12 157.42 26.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.2 p 62.11 33.71 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.3 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.7 ' C ' HD12 ' A' ' 3' ' ' ILE . 13.1 t60 -162.98 113.33 1.41 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.759 0.314 . . . . 0.0 111.242 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 2' ' ' HIS . 4.8 mp -149.65 -70.13 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.778 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER 67.49 105.44 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.246 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.3 mm -43.21 102.39 0.28 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -48.6 108.25 0.18 Allowed 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.486 2.124 . . . . 0.0 112.824 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.99 150.87 6.26 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.238 1.959 . . . . 0.0 112.331 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.1 -24.9 5.75 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.367 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.539 HD23 HD12 ' B' ' 28' ' ' LEU . 1.9 tm? -62.09 -32.97 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 117.179 0.49 . . . . 0.0 110.559 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -62.39 -42.99 99.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.646 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -66.78 -28.04 68.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.19 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -72.35 -41.83 65.99 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.708 0.29 . . . . 0.0 111.303 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' HG ' HD22 ' B' ' 13' ' ' LEU . 7.1 mp -75.18 -28.56 60.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.033 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -47.12 81.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.74 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.22 60.51 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.349 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 54.5 t80 -75.34 -50.64 15.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.903 0.382 . . . . 0.0 110.926 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.612 HG21 ' HA ' ' C' ' 605' ' ' LYS . 25.1 m -51.77 -59.95 3.72 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.694 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 p -52.44 -32.06 16.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -52.87 27.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.201 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -48.0 -37.82 6.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.198 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD21 HD13 ' B' ' 5' ' ' ILE . 5.8 mp -75.62 -52.22 11.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.297 -179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.66 -22.96 63.41 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -98.83 -34.56 10.44 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 111.215 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 57.06 73.57 0.77 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.723 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.82 163.28 16.07 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 0.0 112.444 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.16 -31.1 1.85 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.547 2.165 . . . . 0.0 112.569 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.24 139.84 48.44 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 110.98 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -82.02 -28.8 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.931 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HD11 ' B' ' 12' ' ' LEU . 4.0 t -75.17 -56.32 9.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.887 0.375 . . . . 0.0 111.194 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -42.16 92.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.23 -25.06 66.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.537 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -70.55 -43.16 70.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.637 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.8 t -67.14 -55.5 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -48.25 -37.0 15.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.72 0.295 . . . . 0.0 111.497 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -78.65 -50.89 10.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 6.4 m-85 -67.0 -38.05 85.31 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.2 p -63.23 -51.31 66.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 0.0 110.953 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' ALA . 16.2 mmt180 -57.62 -48.84 78.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.08 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.37 -56.01 9.25 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.928 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -64.46 -47.3 79.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.86 -26.23 68.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.249 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' ARG . . . -52.33 -48.97 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 111.234 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -83.75 171.23 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.243 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -74.18 121.06 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.312 . . . . 0.0 111.083 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 37.0 ttp -79.8 -59.09 2.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 59.15 -90.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.551 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 60.7 p -170.2 142.11 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.331 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 8.8 tmm? -167.48 130.29 1.67 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.22 105.32 14.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.442 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.421 ' CD2' ' C ' ' B' ' 2' ' ' HIS . 2.9 t60 176.83 129.14 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.664 HG21 HD13 ' C' ' 612' ' ' LEU . 0.2 OUTLIER -156.47 179.01 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.915 -179.107 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -165.97 88.13 0.38 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.137 0.494 . . . . 0.0 111.539 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.595 HD13 HD21 ' A' ' 21' ' ' LEU . 43.9 mm -17.15 100.96 0.05 OUTLIER Pre-proline 0 N--CA 1.47 0.554 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.982 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.55 166.78 0.71 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 121.845 1.697 . . . . 0.0 111.622 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -86.0 137.34 5.39 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.666 2.244 . . . . 0.0 112.839 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -27.95 16.26 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.897 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tt -50.56 -47.54 57.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.53 0.205 . . . . 0.0 111.223 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -54.66 -48.88 71.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 111.422 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -54.89 -53.65 52.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.768 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.456 HD11 HG22 ' A' ' 29' ' ' VAL . 3.3 mm? -50.49 -57.61 7.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.374 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.481 HD22 ' HG ' ' A' ' 13' ' ' LEU . 93.1 mt -58.6 -23.85 59.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.38 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -43.68 74.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.747 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.55 -34.28 80.7 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.114 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.703 ' O ' HG23 ' B' ' 20' ' ' VAL . 29.3 t80 -78.26 -49.5 13.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.52 0.2 . . . . 0.0 111.45 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -52.84 -59.68 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.326 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 m -47.97 -36.57 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.965 0.412 . . . . 0.0 111.944 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -79.09 -52.62 7.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.703 HG23 ' O ' ' B' ' 16' ' ' TYR . 96.5 t -48.38 -54.41 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.1 -41.09 82.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.952 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -71.83 -25.68 62.07 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -104.45 -45.01 4.77 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 111.708 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 61.65 79.34 0.28 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -82.33 167.69 15.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.61 2.207 . . . . 0.0 112.776 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -68.55 -35.04 18.26 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.421 2.08 . . . . 0.0 111.805 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -132.45 131.96 42.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 9' ' ' LEU . 3.8 mm? -70.49 -36.73 74.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.721 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.59 -52.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -57.07 -42.55 80.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.169 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -72.0 -26.14 62.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.225 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.21 -44.72 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.927 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -35.71 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.833 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -77.9 -40.22 40.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.841 0.353 . . . . 0.0 111.388 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -60.03 -52.86 63.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 26.4 m-85 -62.94 -46.89 85.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.259 -0.176 . . . . 0.0 111.415 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 7.2 p -58.51 -37.17 75.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.994 0.426 . . . . 0.0 110.007 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.52 -43.08 99.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.731 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -52.39 65.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.549 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -54.52 -59.23 4.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -55.75 -45.57 78.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.365 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' B' ' 43' ' ' ARG . . . -70.0 -29.6 66.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.405 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' B' ' 44' ' ' ALA . 0.0 OUTLIER 27.24 43.89 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.111 0.564 . . . . 0.0 112.404 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' B' ' 43' ' ' ARG . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 83.3 mmm -144.73 -66.43 0.33 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.699 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -160.87 44.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.636 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.83 84.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.639 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 15.8 mm -133.19 130.4 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.798 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -70.43 -106.82 0.04 OUTLIER Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 53.7 p -171.82 128.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.711 0.291 . . . . 0.0 110.794 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -76.32 -73.02 0.3 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 6.9 t -177.77 153.78 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 159.08 -35.02 0.49 Allowed Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . 0.88 ' O ' HG22 ' C' ' 589' ' ' VAL . 1.0 OUTLIER 46.87 77.24 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.88 HG22 ' O ' ' C' ' 588' ' ' TYR . 1.2 m 77.01 148.13 0.12 Allowed Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.696 -178.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -77.52 36.74 0.57 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.393 2.062 . . . . 0.0 113.354 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . 0.483 ' H ' HG23 ' C' ' 589' ' ' VAL . 33.4 tt0 62.42 -74.73 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -48.15 -23.46 0.86 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -26.1 11.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.114 -0.366 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.63 ' HB2' HG21 ' C' ' 589' ' ' VAL . 44.3 t-105 -73.04 -47.62 43.24 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.08 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -57.4 -43.15 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -66.99 -56.89 8.19 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.28 -38.05 17.85 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.23 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -66.2 -44.76 83.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.557 ' O ' HG12 ' C' ' 604' ' ' VAL . . . -55.25 -36.04 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.709 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 23.3 t -80.0 -45.45 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.51 -37.58 87.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 110.248 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -70.07 -57.26 5.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.438 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.557 HG12 ' O ' ' C' ' 600' ' ' ALA . 7.2 p -61.62 -28.11 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . 0.612 ' HA ' HG21 ' A' ' 17' ' ' THR . 17.8 ttpp -76.4 -47.01 24.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.382 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -63.32 -31.84 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.782 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -77.43 -48.33 17.46 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.56 -31.81 3.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.385 0.539 . . . . 0.0 110.92 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 27.1 ttp -64.88 -36.65 85.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.123 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 69.3 m -67.25 -39.52 86.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.3 -26.8 66.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.724 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.664 HD13 HG21 ' B' ' 3' ' ' ILE . 0.7 OUTLIER -89.6 -49.22 6.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.766 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -58.12 -20.58 41.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.369 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.26 63.92 0.44 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 111.038 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.058 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 57.07 -85.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.569 0.223 . . . . 0.0 111.275 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 22.2 ttp -111.91 -57.36 2.27 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -61.3 -178.58 2.64 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.591 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 73.3 m -166.29 175.27 8.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.737 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -141.78 145.28 34.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 57.9 p -147.27 -83.75 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.659 ' C ' HD12 ' A' ' 3' ' ' ILE . 1.0 OUTLIER 170.81 -40.74 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.524 -179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.659 HD12 ' C ' ' A' ' 2' ' ' HIS . 4.2 mp -152.73 152.65 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.069 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.19 110.55 4.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.4 mm -52.58 106.11 0.61 Allowed Pre-proline 0 CA--C 1.536 0.408 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 33.0 Cg_exo -62.4 138.29 70.21 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.09 1.86 . . . . 0.0 112.636 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 26.6 Cg_exo -61.91 160.87 27.7 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 121.882 1.721 . . . . 0.0 112.048 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.3 -23.99 3.75 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 120.836 -0.697 . . . . 0.0 114.033 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -53.2 33.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 117.522 0.661 . . . . 0.0 110.915 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -45.11 61.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.38 -38.32 77.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.43 -43.47 66.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.407 . . . . 0.0 111.268 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' HB2' HG21 ' C' ' 604' ' ' VAL . 14.5 mt -75.34 -31.91 60.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.188 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' O ' HG22 ' A' ' 18' ' ' VAL . 21.4 tt0 -64.84 -43.03 94.38 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.214 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.95 -41.63 77.56 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.816 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' HG23 ' A' ' 20' ' ' VAL . 48.0 t80 -70.64 -48.4 55.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.373 . . . . 0.0 111.12 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.416 HG21 ' HA ' ' C' ' 605' ' ' LYS . 1.9 m -55.67 -59.87 4.24 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 14' ' ' GLN . 26.1 m -48.98 -26.97 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -79.02 -44.91 21.26 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 16' ' ' TYR . 4.8 t -57.57 -38.91 66.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.785 0.326 . . . . 0.0 111.456 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.3 mt -74.41 -35.59 63.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.275 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -85.21 -23.1 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -106.22 -41.98 5.19 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.653 0.263 . . . . 0.0 111.494 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 59.97 78.59 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.837 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -82.31 170.18 13.56 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.686 2.257 . . . . 0.0 112.396 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.42 -33.07 7.35 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.421 2.081 . . . . 0.0 112.254 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.86 153.21 51.54 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.248 0.547 . . . . 0.0 111.17 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.73 -42.6 9.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.813 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 30' ' ' GLU . 13.9 p -64.58 -44.5 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.523 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' N ' HG13 ' A' ' 29' ' ' VAL . 36.1 mt-10 -69.28 -50.79 43.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.968 0.413 . . . . 0.0 110.4 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -56.05 -25.21 44.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.527 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.83 -44.07 70.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.141 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.582 HG13 ' OG1' ' A' ' 37' ' ' THR . 78.7 t -63.98 -56.58 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -47.73 -35.44 9.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -78.57 -55.62 5.06 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -75.41 -38.13 60.05 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.582 ' OG1' HG13 ' A' ' 33' ' ' VAL . 3.6 m -66.26 -43.31 86.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.54 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.8 mtt-85 -77.53 -25.78 50.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.761 0.315 . . . . 0.0 110.767 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 tp -59.44 -55.17 37.99 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.299 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -46.06 -37.11 6.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.977 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.28 -36.37 46.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.929 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.82 92.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -86.86 160.59 18.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.253 179.823 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -170.16 127.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.698 0.285 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 70.7 mtm -89.46 -62.3 1.51 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.827 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 160.44 125.82 0.8 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.337 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 54.0 p -171.92 135.96 0.86 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 6.4 mmt -146.25 138.71 25.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.597 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 67.5 m -167.4 -40.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.73 98.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.279 0.561 . . . . 0.0 110.454 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.407 HD12 ' CD1' ' C' ' 612' ' ' LEU . 14.1 mm -154.68 -49.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.003 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -45.66 137.97 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.955 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.92 115.33 19.95 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.567 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.75 166.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.141 1.894 . . . . 0.0 112.502 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.59 100.11 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.614 2.209 . . . . 0.0 112.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.45 -28.94 3.08 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.866 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.63 -47.18 82.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.1 m -54.49 -48.14 72.2 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.882 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.32 -29.86 66.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.519 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.25 -57.47 8.38 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.78 -35.16 68.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -68.19 -44.16 76.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.995 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.88 -35.92 49.02 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -80.06 -46.77 15.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.379 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 m -55.8 -49.73 72.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.331 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 m -51.88 -33.01 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 121.198 0.523 . . . . 0.0 111.397 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.74 -38.6 53.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.678 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.563 ' O ' ' N ' ' B' ' 24' ' ' GLN . 77.7 t -60.91 -50.68 79.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.747 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -74.2 -23.36 59.19 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -109.98 -52.34 2.78 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.686 0.279 . . . . 0.0 111.651 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' B' ' 20' ' ' VAL . 48.1 mt-30 64.28 83.64 0.19 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -86.61 173.59 6.21 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.847 2.365 . . . . 0.0 112.781 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.13 -28.36 9.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.653 2.235 . . . . 0.0 112.375 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -132.21 135.46 46.33 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.026 0.441 . . . . 0.0 110.893 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.4 mt -78.59 -41.58 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.17 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.457 HG13 ' N ' ' B' ' 30' ' ' GLU . 10.4 p -67.36 -46.94 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.389 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.457 ' N ' HG13 ' B' ' 29' ' ' VAL . 27.1 tt0 -59.21 -56.37 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 111.206 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -55.49 -25.72 38.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.98 -48.02 17.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.842 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 76.7 t -51.9 -55.43 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 110.821 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.54 -39.98 81.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.209 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.28 -60.33 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.201 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.402 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 39.1 m-85 -59.53 -42.99 93.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.537 0.208 . . . . 0.0 111.51 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 16.3 p -57.49 -31.27 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -76.89 -36.74 56.47 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -56.1 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.56 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -69.67 -29.31 66.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.845 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.26 -23.7 40.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.15 -32.13 24.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.331 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.36 176.81 8.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.89 0.376 . . . . 0.0 111.024 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.337 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.728 0.299 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 55.8 mtt -63.97 148.49 49.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.829 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.93 52.24 2.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . 0.514 ' O ' HD13 ' C' ' 582' ' ' ILE . 19.3 t70 -169.43 32.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . 0.514 HD13 ' O ' ' C' ' 581' ' ' ASP . 19.4 mm -137.52 103.17 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -97.81 87.65 0.87 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.549 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' C' ' 585' ' ' ALA . 1.4 t 76.71 -53.44 0.58 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.551 0.215 . . . . 0.0 111.399 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' C' ' 584' ' ' SER . . . 77.82 -58.69 0.46 Allowed 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.374 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 75.2 p -165.35 -47.98 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.188 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 97.88 66.61 0.9 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.318 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . 0.511 ' C ' HG13 ' C' ' 589' ' ' VAL . 7.0 t80 -45.61 140.64 3.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 111.811 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.511 HG13 ' C ' ' C' ' 588' ' ' TYR . 0.6 OUTLIER 68.57 140.82 0.07 OUTLIER Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.11 -179.386 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' C' ' 592' ' ' GLU . 73.7 Cg_endo -71.82 46.77 0.88 Allowed 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.099 2.533 . . . . 0.0 114.22 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 64.1 tt0 59.66 -70.48 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . 0.442 ' HG2' HD13 ' A' ' 3' ' ' ILE . 11.1 tt0 -49.08 -26.46 2.7 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 111.982 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 2.0 mm -73.34 -26.56 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.225 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.432 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 58.8 t-105 -78.59 -47.9 16.23 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.271 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -45.12 81.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -68.05 -57.88 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.771 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -40.71 28.77 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 120.866 0.365 . . . . 0.0 111.567 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.15 -34.73 76.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -64.47 -45.35 87.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.264 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.56 -43.92 72.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.044 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.7 -44.63 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -61.81 -34.78 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -74.02 -53.41 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.372 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.401 HG21 ' HB2' ' A' ' 13' ' ' LEU . 2.5 p -65.35 -29.71 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . 0.416 ' HA ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -75.64 -44.9 40.25 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -63.86 -23.79 67.49 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.48 -55.25 5.36 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.921 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . 0.405 ' HB1' ' CG1' ' A' ' 18' ' ' VAL . . . -45.05 -33.95 2.32 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.52 -27.51 62.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.588 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 14.4 m -74.28 -42.07 60.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.775 0.322 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.58 -32.69 70.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.323 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.407 ' CD1' HD12 ' B' ' 3' ' ' ILE . 4.2 pp -89.35 -24.58 21.94 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.611 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -75.74 6.42 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.036 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.21 30.76 4.18 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.899 0.38 . . . . 0.0 110.956 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.084 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -170.9 123.06 0.6 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.702 0.287 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 6.8 tpt 75.99 29.37 0.79 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 63.36 -127.67 37.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.625 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 55.3 p -56.25 -179.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.671 0.272 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.07 105.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.701 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.4 t -146.87 -153.41 0.49 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.002 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -155.43 117.03 4.02 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.935 0.397 . . . . 0.0 110.257 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.479 ' CG2' HD22 ' B' ' 21' ' ' LEU . 7.8 mt -137.52 149.23 25.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.104 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -152.42 116.18 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.636 -0.257 . . . . 0.0 111.341 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.7 mm -39.29 100.69 0.22 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 120.591 0.234 . . . . 0.0 110.721 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.09 111.32 0.46 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.606 2.204 . . . . 0.0 113.144 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.42 144.33 24.7 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.038 1.825 . . . . 0.0 112.084 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.25 -26.46 7.84 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.262 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.2 tt -55.83 -42.91 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.032 0.444 . . . . 0.0 110.62 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.91 HG23 HG12 ' C' ' 604' ' ' VAL . 85.4 m -57.39 -42.34 82.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.642 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -29.69 70.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.09 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.59 -43.48 63.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.942 0.401 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.541 HD12 HG11 ' C' ' 604' ' ' VAL . 29.0 mt -71.25 -40.49 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.068 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -55.58 -42.32 74.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.15 -49.41 59.66 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.306 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.39 -42.19 96.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -55.17 -59.58 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.159 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 m -55.39 -33.38 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.742 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.6 -45.51 68.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.729 0.299 . . . . 0.0 110.797 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' B' ' 9' ' ' LEU . 55.3 t -66.67 -34.03 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.263 0.554 . . . . 0.0 109.974 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mp -74.56 -37.43 62.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.468 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HB2' HD21 ' C' ' 612' ' ' LEU . 4.4 tmm_? -85.46 -23.04 27.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.928 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -51.8 2.83 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 111.66 0.244 . . . . 0.0 111.66 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 65.57 91.57 0.07 OUTLIER Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.47 173.81 2.12 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.112 2.541 . . . . 0.0 112.724 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -74.47 -31.03 7.53 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.443 2.095 . . . . 0.0 111.986 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -132.61 137.05 46.91 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.96 -53.03 7.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.01 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -55.26 -38.77 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -53.56 28.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.479 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -58.42 -28.42 65.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.607 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.37 -42.03 88.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.166 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.61 HG11 HG23 ' B' ' 37' ' ' THR . 0.2 OUTLIER -66.82 -59.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 177.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -49.34 -32.59 11.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.849 0.357 . . . . 0.0 110.945 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -78.77 -49.03 13.7 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -73.22 -50.76 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.52 ' OG1' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -55.38 -48.64 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.579 0.228 . . . . 0.0 111.589 -178.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.48 -55.06 35.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -51.36 -25.81 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -80.3 -28.94 38.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.36 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.12 57.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.328 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -131.03 -170.34 2.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.35 179.662 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.394 -0.282 . . . . 0.0 112.394 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -171.25 -43.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.036 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 21.5 ttt -169.66 133.47 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -174.75 73.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.571 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 20.6 t -67.06 -44.67 79.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.85 0.357 . . . . 0.0 110.982 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 21.3 mmt 54.31 28.88 9.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.003 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.5 m 57.73 61.64 2.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.433 ' CD2' ' NE2' ' C' ' 613' ' ' GLN . 2.3 t-160 -169.63 -158.5 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.011 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.426 HD12 HD12 ' C' ' 612' ' ' LEU . 10.1 tt -167.14 157.78 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -141.66 128.92 21.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.758 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.46 144.98 87.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.096 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.69 165.15 18.13 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.785 2.324 . . . . 0.0 112.258 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -85.91 147.81 9.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.678 2.252 . . . . 0.0 112.902 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.1 -36.66 3.59 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.866 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.486 ' CD1' HG11 ' A' ' 20' ' ' VAL . 4.1 tt -53.08 -45.37 68.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.65 0.262 . . . . 0.0 111.005 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.9 m -54.88 -45.83 74.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.895 0.378 . . . . 0.0 110.822 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -62.77 -33.05 74.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.756 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.93 -47.78 67.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.578 0.227 . . . . 0.0 111.295 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.95 -53.53 48.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.54 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.401 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -57.88 -31.12 66.41 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.997 -179.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.401 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -58.8 -35.46 82.32 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.675 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -79.7 -42.64 24.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 109.934 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -56.16 -45.21 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.855 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.401 HG22 ' O ' ' B' ' 15' ' ' GLY . 16.0 m -54.97 -28.68 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.35 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -79.12 -47.54 15.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' B' ' 24' ' ' GLN . 29.4 t -52.95 -47.36 53.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.183 0.516 . . . . 0.0 110.145 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.479 HD22 ' CG2' ' A' ' 3' ' ' ILE . 7.3 mt -58.98 -42.92 91.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.103 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.0 mtm180 -80.46 -23.22 40.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -107.59 -50.41 3.07 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 63.28 76.83 0.35 Allowed Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.941 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -80.23 170.46 16.23 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.687 2.258 . . . . 0.0 112.766 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -71.47 -32.93 11.6 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.499 2.132 . . . . 0.0 112.091 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.53 136.8 46.87 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.114 0.483 . . . . 0.0 110.717 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 mt -72.32 -40.41 67.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.137 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.71 -56.28 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -47.13 -48.87 23.09 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.894 0.378 . . . . 0.0 110.773 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -69.06 -25.43 64.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.583 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.79 -46.21 22.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.722 0.296 . . . . 0.0 111.72 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.454 ' O ' ' OG1' ' B' ' 37' ' ' THR . 0.0 OUTLIER -54.96 -59.4 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.981 0.42 . . . . 0.0 109.92 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -51.93 -35.48 45.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.403 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -68.8 -52.76 26.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.471 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -76.71 -45.67 28.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.567 0.222 . . . . 0.0 111.548 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.61 HG23 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -60.73 -27.29 67.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.239 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -75.45 -36.35 60.74 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 109.939 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.06 -48.58 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.248 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' B' ' 40' ' ' ARG . 27.2 tpt180 -58.96 -38.4 78.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.11 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -80.68 -25.08 38.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.203 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.75 -27.93 22.05 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.012 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.34 147.77 47.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.806 0.336 . . . . 0.0 111.056 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.861 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.829 0.347 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 27.2 mmt -143.51 -44.93 0.28 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.704 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 63.93 80.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.23 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -88.62 163.9 15.61 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.63 -24.09 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.233 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -147.73 -169.68 15.17 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 15.4 t -99.74 -58.89 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.841 0.353 . . . . 0.0 111.031 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 60.44 95.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.015 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 3.7 m 62.15 -176.25 0.13 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.997 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -85.05 50.61 4.42 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.667 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . 0.576 ' O ' HG22 ' C' ' 589' ' ' VAL . 3.0 t80 52.54 78.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.576 HG22 ' O ' ' C' ' 588' ' ' TYR . 0.8 OUTLIER 59.1 132.25 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.126 -178.302 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' C' ' 592' ' ' GLU . 36.9 Cg_endo -66.89 103.33 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.96 1.773 . . . . 0.0 113.022 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' C' ' 590' ' ' PRO . 44.9 mt-10 14.47 -76.22 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' C' ' 590' ' ' PRO . 53.2 mt-10 -45.19 -29.62 0.99 Allowed 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 23.7 mm -74.64 -27.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.25 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.401 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 64.7 t-105 -79.85 -47.36 15.26 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 111.263 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -56.05 -44.74 79.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -66.13 -58.17 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.615 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.52 20.49 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 111.7 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.9 -39.74 79.57 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.424 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.91 -44.09 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.899 ' O ' HG13 ' C' ' 604' ' ' VAL . . . -54.03 -55.02 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . 0.402 ' HA ' HG22 ' C' ' 604' ' ' VAL . 21.4 t -63.73 -39.04 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.77 -37.93 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.89 -51.77 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.591 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.91 HG12 HG23 ' A' ' 10' ' ' THR . 1.4 m -59.81 -28.1 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.126 0.489 . . . . 0.0 111.719 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -76.03 -49.76 16.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.838 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.11 -28.86 69.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.572 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . 0.456 HE22 HG21 ' A' ' 10' ' ' THR . 13.9 mt-30 -79.4 -54.94 5.44 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.006 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.42 -33.23 3.76 Favored 'General case' 0 C--N 1.338 0.077 0 CA-C-O 121.192 0.52 . . . . 0.0 111.546 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 4.0 mtm -69.57 -34.24 73.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -65.67 -35.81 81.86 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.17 -24.86 67.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.367 0.603 . . . . 0.0 109.494 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -89.63 -51.43 5.53 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.867 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . 0.433 ' NE2' ' CD2' ' B' ' 2' ' ' HIS . 4.2 mm-40 -53.13 -23.66 8.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.219 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.99 68.69 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 111.241 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.16 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -66.76 79.58 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.104 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 3.6 tpt -169.17 64.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 173.32 152.02 8.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.567 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 36.5 m -168.47 -70.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 14.1 ptp -66.8 -179.47 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.0 t -154.43 119.69 5.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 176.7 -54.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.086 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 mt -139.54 154.48 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.897 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -148.63 105.84 3.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.549 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.9 mm -39.23 99.23 0.19 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 123.022 0.202 . . . . 0.0 111.118 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.85 112.03 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.394 2.063 . . . . 0.0 112.502 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -45.82 157.12 0.37 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.206 1.937 . . . . 0.0 112.321 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.7 -20.7 17.64 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.889 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.33 -32.84 70.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.645 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.89 -51.51 54.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -65.57 -34.15 77.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.76 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -44.58 72.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 111.385 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.62 ' HG ' HD22 ' B' ' 13' ' ' LEU . 7.3 mp -73.93 -28.02 61.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.7 -44.54 89.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.71 -46.38 82.63 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.656 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.457 ' HD2' HD21 ' B' ' 13' ' ' LEU . 35.7 t80 -71.06 -47.22 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 110.064 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' HD12 ' A' ' 21' ' ' LEU . 58.6 m -58.43 -60.52 3.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.123 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.62 -26.31 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.693 0.282 . . . . 0.0 111.571 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -79.0 -41.43 29.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -56.65 -39.2 61.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 0.0 110.747 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.659 HD22 ' CG2' ' B' ' 3' ' ' ILE . 1.1 mt -75.88 -49.04 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.242 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -63.02 -23.3 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -37.09 5.98 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 21' ' ' LEU . 19.2 mm-40 59.16 74.55 0.58 Allowed Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -83.39 166.06 14.17 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.965 2.443 . . . . 0.0 113.264 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.04 -31.31 3.06 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.734 2.29 . . . . 0.0 112.672 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.23 145.22 51.18 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.288 0.566 . . . . 0.0 110.77 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.777 HD22 HD23 ' B' ' 9' ' ' LEU . 18.1 mt -86.64 -47.96 8.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.966 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.0 p -52.92 -40.59 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -73.84 -56.18 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -49.66 -27.69 4.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.96 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.6 -43.75 30.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.581 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 37' ' ' THR . 0.3 OUTLIER -72.61 -28.82 28.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.303 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.55 -36.97 71.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 109.977 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -79.15 -47.0 16.85 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.364 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.43 -51.14 60.1 Favored 'General case' 0 N--CA 1.461 0.102 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 33' ' ' VAL . 69.4 p -52.63 -52.73 54.24 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.919 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -56.06 15.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.22 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.58 -51.83 67.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.346 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -55.92 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.165 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -68.72 -38.4 80.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.237 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.53 73.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.333 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.92 147.69 26.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.211 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 N-CA-C 112.586 -0.205 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -168.82 -62.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.712 0.291 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -141.5 -46.72 0.37 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.675 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' B' ' -3' ' ' SER . . . -167.46 -50.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' B' ' -4' ' ' GLY . 1.1 t 85.58 -25.16 0.12 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.569 0.348 . . . . 0.0 111.436 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.67 165.25 15.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.753 0.311 . . . . 0.0 110.409 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 23.1 t -169.55 94.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.681 ' C ' HD12 ' B' ' 3' ' ' ILE . 0.1 OUTLIER -179.04 -74.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.681 HD12 ' C ' ' B' ' 2' ' ' HIS . 3.8 mp -154.33 155.38 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.227 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -163.7 134.96 4.67 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.02 117.19 65.41 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.701 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.84 121.35 4.13 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.222 1.948 . . . . 0.0 112.055 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -43.62 142.07 3.43 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.354 2.036 . . . . 0.0 112.921 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -30.32 6.77 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.826 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.777 HD23 HD22 ' A' ' 28' ' ' LEU . 3.3 tm? -56.21 -42.63 77.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.596 0.236 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 89.8 m -52.48 -39.98 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.963 0.411 . . . . 0.0 110.675 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.29 -44.93 78.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.219 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.88 -52.76 59.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.708 -0.223 . . . . 0.0 110.779 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.62 HD22 ' HG ' ' A' ' 13' ' ' LEU . 85.4 mt -60.59 -37.54 81.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.416 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 1.8 tt0 -66.14 -45.65 80.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.875 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.12 -36.54 52.32 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.184 -0.532 . . . . 0.0 112.656 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -79.69 -45.35 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.524 HG21 ' HB3' ' C' ' 600' ' ' ALA . 2.0 m -61.74 -29.41 70.1 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.4 -28.37 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.286 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -79.25 -47.62 15.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.902 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.509 HG12 ' O ' ' B' ' 17' ' ' THR . 5.9 p -53.05 -44.12 49.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -49.21 78.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -69.99 -23.47 63.15 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -101.57 -45.83 5.16 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.89 0.376 . . . . 0.0 111.738 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 64.21 71.17 0.6 Allowed Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.62 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -83.51 163.86 14.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.055 2.503 . . . . 0.0 112.392 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -76.54 -26.64 8.35 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.511 2.14 . . . . 0.0 113.118 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -132.42 136.91 47.07 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.086 0.469 . . . . 0.0 111.167 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.407 HD22 ' N ' ' B' ' 28' ' ' LEU . 2.4 mm? -83.3 -44.91 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -59.04 -39.42 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -71.47 -56.01 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.028 0.442 . . . . 0.0 110.353 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.14 -28.82 55.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.141 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.36 -51.24 10.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.049 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.41 ' CG2' HG22 ' A' ' 37' ' ' THR . 0.5 OUTLIER -57.19 -36.22 51.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -77.87 -36.01 50.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.903 0.383 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -64.37 -44.99 89.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -69.44 -41.95 75.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.492 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -60.61 -40.1 90.62 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.108 0.48 . . . . 0.0 110.082 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -58.5 -42.68 88.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.339 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.14 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.0 -49.02 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.511 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.47 -27.83 67.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.25 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.59 -39.04 77.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.309 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.51 151.18 22.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.219 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.65 0.262 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 6.3 tpt 69.86 -62.58 0.42 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.019 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -162.57 31.34 0.11 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.25 179.45 4.03 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.584 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.27 -33.58 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.785 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 69.39 153.32 0.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.664 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 17.1 t -167.42 128.71 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.732 0.301 . . . . 0.0 110.82 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' C' ' 587' ' ' GLY . . . -77.4 60.59 2.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.278 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 8.8 m 56.71 -82.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.061 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' C' ' 585' ' ' ALA . . . 104.01 -38.69 3.12 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.516 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -93.56 22.24 5.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 111.525 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.18 121.21 61.15 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.366 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' C' ' 592' ' ' GLU . 68.3 Cg_endo -71.45 58.68 2.47 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.114 1.876 . . . . 0.0 113.505 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 53.75 -80.97 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' C' ' 590' ' ' PRO . 50.2 mt-10 -45.33 -28.22 0.8 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 7.8 mm -73.61 -27.97 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.213 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.416 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 56.6 t-105 -80.16 -47.22 15.05 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -60.2 -41.33 92.74 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.278 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -69.3 -58.14 4.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.734 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.64 -33.65 10.33 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 111.396 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.06 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.787 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.05 -46.31 78.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.715 0.293 . . . . 0.0 110.3 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.524 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -50.93 -41.79 59.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 22.9 t -75.83 -39.37 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -66.2 -41.72 89.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.314 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.73 -57.16 8.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.458 HG12 ' O ' ' C' ' 600' ' ' ALA . 9.4 p -62.11 -26.57 40.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.955 0.407 . . . . 0.0 111.887 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -73.13 -49.45 28.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.982 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -65.32 -23.77 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.048 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -79.61 -59.24 2.82 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -46.19 -30.83 2.12 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 2.9 ptt? -63.78 -33.1 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.388 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 6.3 m -67.55 -42.26 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' C' ' 615' ' ' ALA . 8.2 mm-40 -58.48 -25.06 61.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.352 0.596 . . . . 0.0 110.104 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.489 HD22 ' CG1' ' B' ' 3' ' ' ILE . 0.3 OUTLIER -89.7 -38.13 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.151 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -75.58 -5.15 43.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.1 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -169.6 32.25 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' C' ' 611' ' ' GLU . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.269 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 68.35 -65.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 53.1 mtm -158.78 148.95 19.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.759 0.314 . . . . 0.0 110.511 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -167.54 -89.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.81 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 67.4 m -58.08 165.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 111.219 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.1 mmt -81.1 -77.61 0.2 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.7 m -165.65 83.34 0.33 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.12 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.662 ' O ' HD13 ' A' ' 3' ' ' ILE . 1.6 p80 -136.45 49.63 2.08 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.296 0.57 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.662 HD13 ' O ' ' A' ' 2' ' ' HIS . 7.9 mm -133.4 155.63 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.142 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -157.16 109.43 2.44 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.51 115.84 28.29 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.301 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -80.63 144.4 15.66 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.126 1.884 . . . . 0.0 112.178 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -86.21 34.86 0.47 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.329 2.019 . . . . 0.0 113.403 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.05 -39.8 0.47 Allowed Glycine 0 CA--C 1.51 -0.274 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.658 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.649 HD12 ' CD2' ' B' ' 28' ' ' LEU . 0.7 OUTLIER -63.48 -26.26 68.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.913 0.387 . . . . 0.0 110.656 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -61.05 -44.32 97.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -28.81 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.14 -39.94 62.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 111.172 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HB3' HG11 ' C' ' 604' ' ' VAL . 6.3 mp -73.45 -35.87 65.81 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.267 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.7 -43.57 97.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.426 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.21 65.2 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.356 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -71.83 -48.76 43.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.046 0.45 . . . . 0.0 110.207 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -56.83 -59.77 4.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.326 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -53.78 -28.12 16.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.941 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -78.83 -41.02 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.079 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG11 HD12 ' B' ' 9' ' ' LEU . 45.1 t -60.41 -37.43 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.936 0.398 . . . . 0.0 110.689 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD23 HG21 ' B' ' 3' ' ' ILE . 0.9 OUTLIER -73.32 -35.26 66.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.317 179.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -82.62 -23.41 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -114.87 -49.55 2.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' VAL . 46.0 mt-30 66.17 92.79 0.06 OUTLIER Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.66 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -89.24 169.82 4.95 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.93 2.42 . . . . 0.0 112.553 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.25 -36.1 12.82 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.26 1.973 . . . . 0.0 111.75 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 p30 -132.8 133.8 43.85 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.779 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 28' ' ' LEU . 6.6 mp -81.16 -23.96 37.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG12 ' HG2' ' B' ' 40' ' ' ARG . 9.3 t -70.26 -50.99 42.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.948 0.404 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -68.82 -49.34 59.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.284 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -48.7 -25.62 1.89 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.978 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.26 -38.95 60.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.62 -59.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.12 -30.71 49.85 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -78.62 -44.77 23.15 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.647 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -76.49 -41.69 46.2 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.329 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.0 p -58.5 -55.44 35.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.51 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -53.59 -36.23 61.71 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.945 0.402 . . . . 0.0 110.477 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tt -68.48 -52.38 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.855 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.558 ' HG2' HG22 ' B' ' 29' ' ' VAL . 0.0 OUTLIER -54.6 -50.66 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.865 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.59 -34.32 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.31 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.22 -45.22 72.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -96.16 167.32 11.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.779 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.17 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -169.97 123.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.666 0.269 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 15.8 ptp -106.24 -29.42 9.82 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 175.58 142.03 4.01 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.705 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 72.4 m -167.09 138.98 3.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.678 0.275 . . . . 0.0 110.63 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -172.06 175.47 3.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 96.3 p -146.92 62.55 1.19 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.956 0.408 . . . . 0.0 111.171 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' B' ' 2' ' ' HIS . 0.7 OUTLIER -147.07 63.42 1.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.326 0.584 . . . . 0.0 110.208 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.489 HD11 HD22 ' C' ' 612' ' ' LEU . 9.5 mm -52.52 156.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.052 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.449 ' N ' HG22 ' B' ' 3' ' ' ILE . 3.8 mp0 -145.67 111.23 5.43 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.137 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 42.6 mm -58.92 112.37 4.95 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.703 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.16 163.78 2.11 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.991 1.794 . . . . 0.0 111.743 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -86.1 111.14 1.09 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.612 2.208 . . . . 0.0 112.98 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.11 -30.31 4.83 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.166 -0.54 . . . . 0.0 113.363 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 20' ' ' VAL . 4.9 tt -53.67 -42.75 68.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.569 0.223 . . . . 0.0 111.159 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.4 m -51.98 -40.9 61.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 0.0 111.385 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -74.16 -42.81 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.46 -57.57 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.4 mt -61.75 -35.57 78.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.822 0.344 . . . . 0.0 110.274 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.442 ' OE1' ' CE2' ' C' ' 594' ' ' TRP . 2.7 tt0 -63.74 -44.37 93.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -37.63 56.72 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.794 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.411 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 71.7 t80 -79.97 -47.18 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 111.306 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.585 HG23 HD22 ' A' ' 9' ' ' LEU . 3.7 m -55.73 -48.35 75.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.299 -0.409 . . . . 0.0 112.074 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.4 m -48.17 -25.95 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.97 -40.98 30.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' B' ' 21' ' ' LEU . 0.8 OUTLIER -59.6 -43.28 90.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.821 0.343 . . . . 0.0 111.167 -179.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' B' ' 20' ' ' VAL . 3.5 mm? -61.68 -53.4 56.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.522 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -79.01 -22.97 44.71 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.87 -51.27 3.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.736 0.303 . . . . 0.0 111.246 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 63.98 65.25 1.19 Allowed Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.485 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.06 166.24 29.79 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.851 2.367 . . . . 0.0 112.221 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.03 -25.94 8.31 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.453 2.102 . . . . 0.0 113.175 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.36 134.0 44.66 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.097 0.475 . . . . 0.0 111.132 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.649 ' CD2' HD12 ' A' ' 9' ' ' LEU . 4.3 mt -81.21 -50.52 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.077 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.558 HG22 ' HG2' ' A' ' 40' ' ' ARG . 12.5 p -58.96 -43.75 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.802 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.446 ' N ' HG13 ' B' ' 29' ' ' VAL . 17.6 tt0 -67.92 -56.5 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -53.41 -25.1 14.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.66 -38.29 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.405 ' O ' HG23 ' B' ' 37' ' ' THR . 42.0 t -61.08 -51.63 70.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 0.0 110.74 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.44 -45.03 96.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.54 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -62.1 -60.32 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.418 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.95 -41.44 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.486 0.184 . . . . 0.0 111.11 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.405 HG23 ' O ' ' B' ' 33' ' ' VAL . 24.4 p -64.67 -40.07 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -55.2 -46.83 75.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.308 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.52 -55.66 31.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.588 ' HG2' HG12 ' A' ' 29' ' ' VAL . 21.1 mmm180 -46.3 -63.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.609 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.44 -22.12 29.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.67 -36.27 51.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 111.091 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -91.92 160.18 15.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.03 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.154 -0.926 . . . . 0.0 111.246 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 4.2 ptp -107.46 -29.13 9.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 61.66 -162.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.1 126.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.899 0.381 . . . . 0.0 111.223 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . 0.419 HG23 ' N ' ' C' ' 583' ' ' GLY . 19.2 tt -170.67 -41.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . 0.419 ' N ' HG23 ' C' ' 582' ' ' ILE . . . -75.17 -121.71 0.12 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.519 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 4.5 m 62.01 121.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.821 0.343 . . . . 0.0 110.998 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -155.95 24.54 0.38 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.346 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 2.3 m 67.21 -63.64 0.28 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.284 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' C' ' 588' ' ' TYR . . . -166.78 -127.67 0.92 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.396 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . 0.545 ' CB ' ' O ' ' C' ' 587' ' ' GLY . 21.1 t80 113.67 -35.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.391 1.077 . . . . 0.0 111.267 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' C' ' 590' ' ' PRO . 4.7 t -100.46 120.97 54.77 Favored Pre-proline 0 C--N 1.307 -1.246 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.152 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' C' ' 589' ' ' VAL . 58.6 Cg_exo -52.58 -158.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.403 2.069 . . . . 0.0 113.019 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -99.74 -77.65 0.52 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.236 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.63 -21.88 7.67 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . 0.534 HD13 HD12 ' A' ' 3' ' ' ILE . 13.3 mm -73.42 -27.54 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.366 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.442 ' CE2' ' OE1' ' B' ' 14' ' ' GLN . 34.0 t-105 -79.94 -46.98 15.75 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -58.17 -43.72 87.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.196 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -68.76 -54.39 16.23 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.176 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.39 -34.08 15.36 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.9 -33.72 76.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.175 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.42 -45.27 84.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.054 178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.51 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.84 -37.84 64.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.967 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 48.7 t -78.31 -41.16 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -66.96 -36.4 82.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -69.0 -56.96 6.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.412 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 13' ' ' LEU . 9.6 p -60.43 -27.6 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 0.6 OUTLIER -76.96 -48.61 17.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.45 -32.53 68.8 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.443 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . 0.88 ' O ' HG22 ' C' ' 610' ' ' THR . 17.8 pt20 -79.4 -46.67 17.12 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -48.23 -34.24 9.92 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.687 0.676 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 5.4 ptm -65.9 -32.49 74.03 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.584 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . 0.88 HG22 ' O ' ' C' ' 607' ' ' GLN . 5.1 t -70.88 -31.7 68.44 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.2 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.45 -25.02 66.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.535 0.683 . . . . 0.0 109.875 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.489 HD22 HD11 ' B' ' 3' ' ' ILE . 0.3 OUTLIER -88.4 -44.01 11.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.828 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -59.16 -20.08 50.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -97.63 28.92 3.54 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.845 0.355 . . . . 0.0 111.029 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.11 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 59.06 161.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.711 0.291 . . . . 0.0 111.251 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 28.1 tpp 73.87 27.2 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -91.49 -125.16 3.31 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.397 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 27.7 t -69.35 169.64 11.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.783 0.325 . . . . 0.0 110.797 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 5.2 mmt -90.38 13.7 14.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.422 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.5 t 60.57 154.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.792 0.33 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 0.3 OUTLIER -100.75 47.7 0.92 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.311 0.577 . . . . 0.0 110.812 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.432 ' CG2' HD13 ' C' ' 593' ' ' ILE . 9.5 mt -135.37 29.66 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.51 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.36 125.13 25.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.708 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.0 mm -42.89 103.92 0.34 Allowed Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.85 -0.159 . . . . 0.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.27 111.57 0.42 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.614 2.21 . . . . 0.0 113.279 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.64 147.36 13.5 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.0 1.8 . . . . 0.0 111.931 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.24 -22.98 8.77 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.063 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.57 -41.88 77.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.977 0.388 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -56.24 -41.36 75.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.63 -32.86 74.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.501 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.38 -42.62 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 111.119 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' C' ' 604' ' ' VAL . 7.3 mp -72.34 -32.19 66.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.077 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -44.4 94.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.29 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.39 -44.79 66.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.823 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.656 ' O ' HG23 ' A' ' 20' ' ' VAL . 41.5 t80 -73.62 -50.77 19.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.244 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -51.81 -58.52 6.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.929 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.33 -32.72 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.589 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -75.93 -43.93 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.523 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 16' ' ' TYR . 93.4 t -54.56 -45.12 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.556 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD23 HD22 ' C' ' 612' ' ' LEU . 16.3 tp -75.48 -32.96 60.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 112.031 -179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -60.64 -39.23 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -111.09 -23.69 10.76 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 55.05 86.38 0.17 Allowed Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 121.187 -0.205 . . . . 0.0 110.699 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -84.03 169.45 11.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.659 2.239 . . . . 0.0 112.461 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.25 -30.22 5.65 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.55 2.167 . . . . 0.0 112.527 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -132.72 140.17 47.96 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.115 0.483 . . . . 0.0 111.276 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.5 -53.57 6.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.373 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 30' ' ' GLU . 8.6 p -53.95 -46.06 64.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.619 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' N ' HG13 ' A' ' 29' ' ' VAL . 7.8 tp10 -65.18 -55.96 15.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.996 0.427 . . . . 0.0 110.651 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -55.03 -25.31 29.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.593 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -69.2 -43.5 74.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.386 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.46 -57.64 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -47.79 -35.02 9.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 0.0 111.317 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -78.62 -49.99 12.27 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.2 -41.17 81.75 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.0 p -59.12 -52.02 67.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -50.78 -55.43 16.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tt -50.88 -55.83 15.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.71 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -56.71 -52.52 64.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.994 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -57.97 -36.62 72.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.37 -45.06 69.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ptt180 -104.9 -175.08 2.69 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.689 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.333 179.49 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.4 104.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.775 0.321 . . . . 0.0 111.231 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 42.3 mtp -103.64 -67.32 0.9 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.676 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -72.12 76.54 0.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.375 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 37.8 m -170.75 -32.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.605 0.24 . . . . 0.0 111.27 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 19.2 mtt 67.7 148.35 0.05 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.933 0.397 . . . . 0.0 110.64 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 70.0 m -82.29 -32.41 29.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.667 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.598 ' O ' ' HB ' ' B' ' 3' ' ' ILE . 24.3 p-80 -141.49 -31.25 0.58 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.705 HD12 ' HB3' ' C' ' 612' ' ' LEU . 96.2 mt 88.9 102.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 123.184 0.594 . . . . 0.0 110.512 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -47.31 136.96 8.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.446 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.526 HD11 ' SD ' ' C' ' 609' ' ' MET . 28.1 mt -92.45 145.12 29.94 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.78 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.91 158.7 56.88 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.454 2.103 . . . . 0.0 112.434 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -86.13 148.4 9.2 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.655 2.237 . . . . 0.0 112.837 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.19 -34.58 4.86 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -52.75 -42.77 65.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.594 0.235 . . . . 0.0 110.673 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.508 HG22 ' OE1' ' B' ' 14' ' ' GLN . 1.3 m -59.7 -51.88 67.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.044 0.449 . . . . 0.0 111.292 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -59.07 -44.63 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.876 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.97 -55.89 29.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.247 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.38 -31.6 69.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.225 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.508 ' OE1' HG22 ' B' ' 10' ' ' THR . 32.4 mt-30 -68.17 -42.68 79.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.637 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.08 87.61 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.465 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -79.79 -48.69 13.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.611 0.243 . . . . 0.0 111.59 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 10.3 m -52.49 -53.23 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 m -46.79 -35.98 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -73.1 -34.87 66.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.06 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' B' ' 24' ' ' GLN . 26.4 t -64.92 -44.39 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.185 0.517 . . . . 0.0 110.157 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.74 -53.33 59.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.131 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -71.41 -23.43 61.86 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -107.86 -52.24 2.79 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.863 0.363 . . . . 0.0 111.67 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' B' ' 20' ' ' VAL . 45.3 mt-30 64.16 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -90.12 168.45 4.42 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.925 2.417 . . . . 0.0 112.491 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.89 -36.53 22.9 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.316 2.01 . . . . 0.0 112.004 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -132.97 135.89 45.76 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.51 -42.73 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.268 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 p -60.35 -37.58 74.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.807 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.14 -46.32 43.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.639 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -66.25 -26.0 67.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.007 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 -46.36 21.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.126 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.511 ' O ' HG23 ' B' ' 37' ' ' THR . 1.6 p -59.53 -31.84 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.863 0.363 . . . . 0.0 111.196 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.16 -44.13 26.79 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.152 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -59.42 -57.18 14.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 35.8 m-85 -59.38 -44.65 92.73 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.436 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 33' ' ' VAL . 24.4 p -60.77 -42.87 98.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.998 0.428 . . . . 0.0 110.278 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -56.78 -42.38 79.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.76 -52.1 66.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.585 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -46.8 87.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.46 -35.64 68.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -38.87 90.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.929 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -98.62 -179.41 4.3 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.25 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.735 0.302 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 45.3 mtm -68.81 -49.64 56.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 59.18 88.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.253 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -100.49 162.79 12.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 37.8 mm -78.77 -35.87 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -171.79 -55.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 71.2 m -166.02 120.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.67 0.271 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -77.23 -49.68 14.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.179 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 14.2 p 59.1 106.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -71.42 71.52 0.82 Allowed Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . 0.509 ' C ' HG23 ' C' ' 589' ' ' VAL . 8.8 t80 -51.75 151.21 3.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.876 0.37 . . . . 0.0 111.529 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.509 HG23 ' C ' ' C' ' 588' ' ' TYR . 2.4 t 71.39 121.35 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.098 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' C' ' 591' ' ' GLU . 89.7 Cg_endo -76.16 105.73 2.13 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 122.26 1.974 . . . . 0.0 113.36 -179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' C' ' 590' ' ' PRO . 39.8 mt-10 13.06 -81.23 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -47.48 -35.34 8.56 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . 0.432 HD13 ' CG2' ' A' ' 3' ' ' ILE . 20.9 mm -71.87 -27.72 28.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.772 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -79.86 -48.83 12.86 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -54.92 -45.27 74.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -67.31 -59.33 3.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.91 -37.92 21.2 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.51 -35.32 80.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.531 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.563 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.437 ' O ' HG12 ' C' ' 604' ' ' VAL . . . -54.84 -47.01 74.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . 0.464 HG21 ' HG3' ' B' ' 14' ' ' GLN . 29.1 t -69.26 -42.95 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -65.9 -38.1 87.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.207 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.07 -57.09 5.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.437 HG12 ' O ' ' C' ' 600' ' ' ALA . 8.8 p -61.86 -27.36 42.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.002 0.43 . . . . 0.0 111.834 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . 0.503 ' CG ' HD13 ' B' ' 5' ' ' ILE . 1.0 OUTLIER -74.95 -48.77 22.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.55 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -57.99 -27.27 63.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.451 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -79.33 -54.52 5.87 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.96 -36.87 13.27 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . 0.526 ' SD ' HD11 ' B' ' 5' ' ' ILE . 1.2 ptt? -70.34 -28.87 65.48 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.731 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 1.5 m -67.11 -38.32 85.43 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.94 -21.27 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.446 0.641 . . . . 0.0 109.404 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.705 ' HB3' HD12 ' B' ' 3' ' ' ILE . 2.0 mp -84.12 -44.65 13.8 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.615 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -65.07 -15.41 62.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.184 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -157.01 61.63 0.51 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.072 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -69.05 139.79 54.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -18.24 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 98.81 94.54 2.03 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 31.2 t -153.67 143.59 21.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.331 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 18.6 mmt 55.05 24.21 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.7 m -106.76 143.57 34.67 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 173.14 -36.81 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.331 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.0 mt -155.16 152.38 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.149 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.98 107.47 3.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.348 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 34.3 mm -42.07 100.92 0.23 Allowed Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.618 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.05 114.49 1.42 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.599 2.2 . . . . 0.0 113.168 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -47.78 152.22 3.1 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.015 1.81 . . . . 0.0 111.966 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.91 -20.48 15.36 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.028 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.49 -30.12 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.929 0.395 . . . . 0.0 110.817 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -53.97 17.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.712 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -62.43 -26.83 68.71 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.093 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -44.7 62.05 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB2' HG21 ' C' ' 604' ' ' VAL . 91.0 mt -73.65 -31.24 63.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.846 0.355 . . . . 0.0 110.995 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.491 ' N ' HG21 ' C' ' 604' ' ' VAL . 6.3 tt0 -62.32 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.644 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.9 -43.52 87.53 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.353 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 48.2 t80 -71.03 -48.44 52.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.956 0.408 . . . . 0.0 110.978 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 20' ' ' VAL . 4.6 m -56.26 -59.81 4.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.375 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.23 -28.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.575 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -74.4 -34.77 63.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.677 0.275 . . . . 0.0 111.709 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -66.13 -32.5 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.122 0.487 . . . . 0.0 111.146 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.818 HD13 HG21 ' B' ' 3' ' ' ILE . 61.3 mt -75.35 -51.34 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.023 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -74.97 -22.65 58.43 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -93.84 -39.23 10.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.022 0.439 . . . . 0.0 110.734 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 58.39 75.11 0.55 Allowed Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.275 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -89.55 163.68 5.33 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.084 2.522 . . . . 0.0 112.277 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.02 -30.8 2.04 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.526 2.151 . . . . 0.0 113.2 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -132.56 147.43 52.35 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.146 0.498 . . . . 0.0 111.328 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -87.92 -39.72 14.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.457 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 30' ' ' GLU . 11.5 p -62.51 -42.73 96.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 29' ' ' VAL . 36.4 tt0 -74.47 -42.89 58.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.113 0.482 . . . . 0.0 110.163 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.48 -25.35 64.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.623 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.42 -49.38 42.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.758 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG21 HG22 ' B' ' 37' ' ' THR . 9.5 p -72.24 -29.21 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.968 0.413 . . . . 0.0 110.712 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -78.89 -39.65 34.46 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.488 ' HD1' HG12 ' B' ' 29' ' ' VAL . 6.2 m-85 -76.23 -51.45 12.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -52.61 -45.02 66.39 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.796 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -56.57 -51.39 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.549 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' HG ' HG11 ' B' ' 29' ' ' VAL . 13.8 tp -57.86 -55.76 30.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.32 -58.44 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.89 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.35 -21.38 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.142 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -48.01 -40.87 23.95 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -101.21 26.83 6.67 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.119 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 43' ' ' ARG . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 60.23 112.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.719 0.295 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 12.3 tpt -167.45 -54.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 167.69 152.4 7.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.387 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 72.1 m -70.15 65.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.09 137.71 53.97 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.361 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 88.1 p -95.88 167.52 11.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.289 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.741 ' C ' HD12 ' B' ' 3' ' ' ILE . 7.1 p-80 -176.39 -63.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.986 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.818 HG21 HD13 ' A' ' 21' ' ' LEU . 4.7 mp -151.07 153.62 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.87 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.414 ' N ' HG22 ' B' ' 3' ' ' ILE . 8.3 mm100 -147.94 120.13 8.33 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 111.365 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.476 HD13 HD21 ' A' ' 21' ' ' LEU . 39.8 mm -61.08 113.58 8.23 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.945 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -48.83 111.32 0.45 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.979 1.786 . . . . 0.0 111.896 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -44.06 141.86 4.29 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.459 2.106 . . . . 0.0 113.031 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.61 -21.86 36.4 Favored Glycine 0 C--N 1.335 0.476 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.539 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.58 ' O ' HD23 ' B' ' 9' ' ' LEU . 7.4 tt -65.0 -39.44 93.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.774 -0.25 . . . . 0.0 111.467 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -52.97 -47.27 68.29 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.66 -28.13 67.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.531 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -55.67 15.09 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.6 -33.96 72.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -49.27 64.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.229 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.55 -36.02 52.99 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.606 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -80.42 -51.23 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 111.33 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.2 m -54.03 -49.91 67.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.901 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' C' ' 597' ' ' ALA . 29.0 m -48.86 -33.52 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.88 0.371 . . . . 0.0 111.342 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -76.92 -32.05 57.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.343 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.23 -52.17 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.52 -37.42 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.747 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.519 ' HB3' HD12 ' C' ' 593' ' ' ILE . 0.0 OUTLIER -85.57 -24.39 27.24 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -177.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -104.48 -37.61 7.11 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.653 0.263 . . . . 0.0 111.637 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 57.63 84.22 0.21 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.801 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -87.81 171.59 5.88 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.109 2.539 . . . . 0.0 112.634 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.1 -33.52 9.41 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.466 2.11 . . . . 0.0 111.979 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.478 ' OD1' HG22 ' B' ' 29' ' ' VAL . 3.8 t0 -132.65 169.49 16.57 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.034 0.445 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.88 -40.87 6.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.002 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.497 HG11 ' HG ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -72.6 -40.3 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.223 179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -71.51 -34.5 70.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -74.67 -28.98 61.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.972 0.415 . . . . 0.0 110.344 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.8 -49.7 13.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.406 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.776 ' O ' HG23 ' B' ' 37' ' ' THR . 14.4 m -50.86 -47.7 29.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.409 ' N ' HG23 ' B' ' 33' ' ' VAL . 50.1 mt-10 -65.91 -33.01 74.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -69.92 -44.51 69.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.673 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -77.75 -27.62 50.47 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.776 HG23 ' O ' ' B' ' 33' ' ' VAL . 74.0 p -72.9 -35.65 67.13 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.774 0.321 . . . . 0.0 110.708 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -69.05 -35.74 76.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.25 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.89 -55.83 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.095 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -58.81 -59.3 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.03 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.65 -35.2 41.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.165 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.551 ' O ' ' O ' ' B' ' 43' ' ' ARG . . . -75.93 -32.56 59.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.551 ' O ' ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER 37.38 -175.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.282 0.633 . . . . 0.0 112.438 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.103 -179.433 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.791 0.329 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -151.75 169.4 22.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -163.29 105.58 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -149.94 106.07 3.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.739 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 57.5 mt -123.09 -41.18 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 88.97 159.69 35.61 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.533 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 18.2 t -139.94 -46.4 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.775 0.321 . . . . 0.0 110.74 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 60.54 92.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.28 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 23.0 t -113.54 -170.97 1.8 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.72 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' C' ' 588' ' ' TYR . . . -63.6 -144.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.405 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . 0.56 ' CB ' ' O ' ' C' ' 587' ' ' GLY . 16.2 t80 111.88 145.89 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.399 1.079 . . . . 0.0 110.555 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.529 HG23 ' C ' ' C' ' 588' ' ' TYR . 2.4 t 72.15 109.92 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.476 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . 0.441 ' O ' ' O ' ' C' ' 589' ' ' VAL . 76.1 Cg_exo -51.55 -162.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.508 2.139 . . . . 0.0 113.099 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -85.67 -81.68 0.2 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.174 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.97 -27.76 2.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.006 0.431 . . . . 0.0 111.907 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . 0.519 HD12 ' HB3' ' B' ' 22' ' ' ARG . 14.1 mm -68.38 -34.27 64.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.255 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -81.21 -44.68 17.44 Favored 'General case' 0 CA--C 1.518 -0.254 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -58.19 -45.76 86.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.97 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -68.54 -57.9 5.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . 0.421 ' HB3' HG12 ' B' ' 18' ' ' VAL . . . -48.52 -30.4 5.2 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.09 -35.39 80.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.739 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.92 -44.01 94.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.384 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -54.48 -39.28 67.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.41 -42.64 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -65.33 -36.91 85.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.782 0.325 . . . . 0.0 110.298 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.74 -57.58 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.298 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.595 HG21 ' HB2' ' A' ' 13' ' ' LEU . 9.1 p -60.56 -27.42 40.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . 0.418 ' CD ' HG21 ' B' ' 5' ' ' ILE . 0.1 OUTLIER -75.29 -47.01 29.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.677 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -64.39 -23.76 67.4 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -59.17 2.85 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.71 6.58 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 10.7 ptp -64.77 -30.95 71.97 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.414 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -39.12 77.41 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.48 -26.05 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.431 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -40.95 12.19 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.401 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -65.4 -13.36 58.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.941 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -166.09 62.29 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.938 0.399 . . . . 0.0 111.065 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.17 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -61.21 128.98 39.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.87 83.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.709 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 177.2 81.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.418 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 24.1 m -142.93 162.89 34.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -155.98 -50.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 34.4 t -172.75 81.26 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.736 0.303 . . . . 0.0 111.364 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.824 ' O ' HD13 ' A' ' 3' ' ' ILE . 1.4 p-80 -159.12 115.83 2.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.089 0.471 . . . . 0.0 110.864 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.824 HD13 ' O ' ' A' ' 2' ' ' HIS . 6.8 mm -142.97 160.69 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.476 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -160.51 99.86 1.3 Allowed 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.515 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.5 mm -38.15 98.46 0.16 Allowed Pre-proline 0 N--CA 1.468 0.437 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.275 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.76 109.55 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.368 2.045 . . . . 0.0 112.508 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.71 153.88 1.18 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.36 2.04 . . . . 0.0 112.617 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.38 -22.49 12.79 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.131 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.26 -35.07 73.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.907 0.384 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' HG23 ' C' ' 604' ' ' VAL . 0.6 OUTLIER -65.73 -50.19 65.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -65.64 -33.75 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.646 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -47.86 62.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 111.663 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 mp -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.174 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.815 ' O ' HG22 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -60.09 -44.51 94.76 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.256 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.97 -45.05 72.31 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.383 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.0 t80 -71.88 -49.77 35.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.051 0.453 . . . . 0.0 110.273 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -55.38 -59.49 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.331 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.815 HG22 ' O ' ' A' ' 14' ' ' GLN . 34.9 m -55.55 -29.81 25.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.575 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -79.07 -49.23 12.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.427 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 16' ' ' TYR . 77.2 t -49.22 -41.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.229 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.928 HD21 HD13 ' B' ' 5' ' ' ILE . 10.7 mp -73.81 -42.63 60.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -68.67 -23.31 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -111.41 -38.09 5.07 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 55.91 82.92 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.632 0.253 . . . . 0.0 110.359 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -89.94 170.6 4.18 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.121 2.547 . . . . 0.0 112.792 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -73.98 -33.51 6.04 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.413 2.076 . . . . 0.0 111.962 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -132.81 139.52 47.54 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -73.17 -47.47 43.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.723 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -55.56 -54.24 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -53.42 -50.14 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.75 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.73 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.4 -43.62 39.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.419 HG13 HG22 ' B' ' 37' ' ' THR . 94.8 t -65.61 -59.64 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -31.95 16.62 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.078 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -78.55 -54.39 6.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.438 ' CE1' ' CB ' ' B' ' 32' ' ' ALA . 9.9 m-85 -64.12 -28.72 69.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.575 0.226 . . . . 0.0 111.426 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -70.68 -51.43 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -66.63 -29.46 69.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.713 0.292 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.08 -56.04 24.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.844 0.354 . . . . 0.0 110.518 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -51.41 57.19 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.092 0.472 . . . . 0.0 110.516 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.34 -28.31 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.978 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.79 -45.39 86.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.641 0.257 . . . . 0.0 111.192 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -113.21 30.32 7.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.155 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.18 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -169.65 -46.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 17.4 ptp -171.69 -41.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 105.51 -127.04 8.84 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.569 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 59.0 p -160.54 29.16 0.16 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.645 0.222 . . . . 0.0 111.2 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 7.1 ptp 28.48 96.99 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 29.7 t -171.27 -152.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.66 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.456 ' CD2' ' NE2' ' C' ' 613' ' ' GLN . 2.4 t-160 -166.68 -167.72 1.03 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.739 HD13 HD13 ' C' ' 612' ' ' LEU . 0.6 OUTLIER -169.24 178.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.736 -178.594 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.416 ' N ' HG23 ' B' ' 3' ' ' ILE . 0.0 OUTLIER -154.46 129.97 9.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.369 179.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.928 HD13 HD21 ' A' ' 21' ' ' LEU . 8.1 mm -74.6 115.58 45.15 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.371 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.62 161.46 1.28 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.04 1.826 . . . . 0.0 112.216 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -84.56 142.2 9.19 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.52 2.147 . . . . 0.0 112.545 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.76 -28.57 11.99 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.616 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.37 -44.18 72.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.527 0.203 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.6 m -51.21 -41.4 60.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.854 0.359 . . . . 0.0 111.212 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.89 -48.84 64.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.93 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.76 -55.85 14.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.461 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.47 -38.3 83.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.331 . . . . 0.0 110.153 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.444 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 2.8 tt0 -62.2 -40.12 95.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.37 -31.41 62.77 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.815 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.674 ' O ' HG23 ' B' ' 20' ' ' VAL . 68.3 t80 -79.67 -50.33 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 111.185 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.814 HG21 ' HB3' ' C' ' 600' ' ' ALA . 1.1 p -53.26 -55.08 27.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.694 -179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 m -46.0 -41.66 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.408 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 13.4 pt-20 -79.37 -31.81 43.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.836 0.35 . . . . 0.0 110.907 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.674 HG23 ' O ' ' B' ' 16' ' ' TYR . 67.8 t -63.61 -56.77 14.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.263 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -43.33 64.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.065 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -70.75 -23.89 62.51 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -106.21 -49.3 3.39 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 65.91 82.59 0.2 Allowed Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.436 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.27 168.8 11.57 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.63 2.22 . . . . 0.0 112.616 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.49 -32.71 7.61 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.421 2.081 . . . . 0.0 112.14 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -132.53 136.36 46.58 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.993 0.425 . . . . 0.0 110.948 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.2 mt -84.14 -27.88 27.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.213 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -70.72 -41.59 77.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.049 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.81 -56.12 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.311 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -51.48 -25.24 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.709 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.438 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . . . -78.03 -38.11 45.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.629 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -61.57 -40.35 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 0.0 110.81 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.86 -46.75 74.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.408 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 83.5 t80 -57.18 -52.05 66.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -68.79 -49.68 56.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.629 HG23 ' O ' ' B' ' 33' ' ' VAL . 66.7 p -57.05 -40.57 77.04 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.857 0.36 . . . . 0.0 110.606 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -54.94 -46.25 74.94 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.313 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 50.3 mt -72.29 -31.32 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.262 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -70.76 -38.75 73.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.376 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.29 -5.14 48.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.514 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.13 -34.65 76.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.231 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.7 26.58 3.45 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.327 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.047 179.768 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 8.2 tpp -160.87 152.22 19.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.762 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -86.83 62.86 7.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -161.33 127.67 3.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 23.0 mt -142.11 -44.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 110.35 25.39 5.28 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.359 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 48.5 p -172.72 -46.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.749 0.309 . . . . 0.0 110.697 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 67.45 -64.91 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.329 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 25.4 p -174.6 112.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.737 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 172.48 54.7 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.577 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -93.38 21.88 5.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.973 0.416 . . . . 0.0 111.231 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.53 HG23 ' O ' ' C' ' 589' ' ' VAL . 26.8 m -97.36 121.82 57.47 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.865 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.34 57.59 1.29 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.961 1.774 . . . . 0.0 113.237 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 55.14 -80.69 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -47.3 -26.72 1.32 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 4.9 mm -73.18 -28.23 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.802 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.455 ' HB2' HG21 ' C' ' 589' ' ' VAL . 46.4 t-105 -80.03 -45.71 17.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.119 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -56.9 -45.1 82.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.38 -55.84 8.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.965 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -37.86 19.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 111.2 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.27 -30.72 71.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.375 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -66.69 -45.2 79.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.297 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.814 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -55.83 -30.76 61.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.519 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . 0.47 HG12 ' CD ' ' C' ' 605' ' ' LYS . 30.5 t -83.28 -45.16 18.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -66.06 -38.42 88.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.879 0.371 . . . . 0.0 110.173 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.27 -57.19 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.765 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 10' ' ' THR . 7.1 p -59.88 -26.55 35.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.967 0.413 . . . . 0.0 112.062 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . 0.47 ' CD ' HG12 ' C' ' 601' ' ' VAL . 0.3 OUTLIER -75.12 -48.28 24.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.43 76.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.394 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . 0.47 ' O ' ' OG1' ' C' ' 610' ' ' THR . 4.1 pt20 -79.25 -48.18 14.62 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.88 -37.17 5.98 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.804 -0.56 . . . . 0.0 111.659 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . 0.652 ' HA ' HD12 ' C' ' 612' ' ' LEU . 17.7 ptp -72.05 -32.28 66.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.6 OUTLIER -65.61 -34.28 77.86 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -23.17 66.46 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.739 HD13 HD13 ' B' ' 3' ' ' ILE . 7.0 mt -89.08 -43.76 10.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.394 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . 0.456 ' NE2' ' CD2' ' B' ' 2' ' ' HIS . 1.4 mm-40 -61.46 -20.34 63.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.995 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.89 65.41 0.2 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.862 0.363 . . . . 0.0 111.129 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.101 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.28 35.2 24.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.76 0.314 . . . . 0.0 111.094 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 7.9 tpt 69.48 37.12 2.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.39 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -73.22 62.93 1.75 Allowed Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.589 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 13.7 t 57.56 94.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.661 0.267 . . . . 0.0 111.053 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 45.9 ttp 62.13 128.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.319 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 74.4 m -88.69 67.42 8.38 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.534 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -145.44 119.43 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.804 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.456 HD13 HD13 ' C' ' 593' ' ' ILE . 27.6 mt -139.11 104.32 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.267 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -120.78 122.9 41.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.201 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.0 mm -45.78 102.59 0.31 Allowed Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.847 -0.161 . . . . 0.0 110.608 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.73 164.16 1.63 Allowed 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.941 1.761 . . . . 0.0 112.481 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -92.5 157.28 2.99 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.828 2.352 . . . . 0.0 111.948 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -19.26 17.38 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.932 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.48 -47.51 72.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -50.79 72.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.526 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.74 -36.9 77.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.309 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 12' ' ' LEU . 5.1 tp -74.36 -44.97 49.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.885 0.374 . . . . 0.0 111.46 -179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' C' ' 604' ' ' VAL . 9.0 mp -72.39 -40.3 67.33 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.997 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -38.84 83.58 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.721 0.296 . . . . 0.0 110.507 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.87 -45.62 91.46 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.054 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -69.63 -48.51 59.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.008 0.433 . . . . 0.0 110.13 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.9 m -55.81 -60.42 3.49 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.228 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 p -53.74 -26.14 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.695 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.6 -24.61 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.868 0.366 . . . . 0.0 110.742 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.86 -38.61 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.25 -35.72 71.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.697 0.284 . . . . 0.0 111.311 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -75.31 -29.99 60.2 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -106.99 -52.91 2.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.982 0.42 . . . . 0.0 110.898 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 58.3 57.71 6.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.96 170.16 20.74 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.339 2.026 . . . . 0.0 111.152 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.67 -7.95 22.19 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 122.383 2.055 . . . . 0.0 115.567 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -133.21 118.9 19.17 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.34 0.973 . . . . 0.0 112.003 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 mt -81.97 -39.29 23.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.456 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.52 -37.31 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 -70.97 -48.24 54.43 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.34 -54.68 10.47 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.336 0.589 . . . . 0.0 110.836 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB1' ' CG ' ' B' ' 36' ' ' PHE . . . -46.74 -46.61 20.49 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 37' ' ' THR . 95.4 t -68.15 -60.15 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.558 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.29 -32.02 23.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.394 -0.523 . . . . 0.0 111.13 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -78.78 -57.9 3.52 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -63.59 -28.22 69.78 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' CG2' ' B' ' 33' ' ' VAL . 40.8 p -71.6 -55.21 8.21 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.792 0.33 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -54.51 -52.01 63.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 tt -48.48 -56.39 8.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -60.52 -50.6 72.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.831 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -51.01 -29.43 12.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -54.89 -47.03 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.776 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -98.32 -178.26 3.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.688 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.375 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -59.67 -179.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 7.8 ttm -167.72 109.71 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 177.85 -150.67 10.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.438 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 4.0 m 60.29 -174.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.697 0.284 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 22.6 mmt 58.86 154.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.271 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' B' ' 2' ' ' HIS . 11.0 m -165.93 178.65 6.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.431 ' CD2' ' OE1' ' B' ' 4' ' ' GLN . 7.2 t60 163.03 -46.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.644 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 mt 74.72 93.54 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.467 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.431 ' OE1' ' CD2' ' B' ' 2' ' ' HIS . 10.1 pt20 -169.5 119.85 0.68 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.185 0.517 . . . . 0.0 110.881 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.547 HD11 ' SD ' ' C' ' 609' ' ' MET . 20.4 mm -51.51 108.08 0.98 Allowed Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.368 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -55.84 114.93 2.12 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.774 1.649 . . . . 0.0 111.94 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -44.48 122.01 3.61 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.275 1.984 . . . . 0.0 112.962 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.35 -31.08 8.88 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 121.158 -0.544 . . . . 0.0 113.116 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.407 ' C ' HD13 ' B' ' 9' ' ' LEU . 3.1 tm? -53.96 -42.99 69.53 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 122.721 -0.282 . . . . 0.0 110.806 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 51.4 m -52.86 -41.78 64.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.935 0.398 . . . . 0.0 111.04 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.74 -41.46 87.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.2 mm? -56.15 -53.25 59.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.64 0.257 . . . . 0.0 110.548 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.72 -43.32 94.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 109.888 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.421 ' OE1' ' CH2' ' C' ' 594' ' ' TRP . 0.6 OUTLIER -62.57 -45.08 94.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.23 61.65 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.209 -0.52 . . . . 0.0 113.052 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -79.42 -46.64 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.489 HG21 ' HB3' ' C' ' 600' ' ' ALA . 5.8 m -54.39 -40.91 68.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.966 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -60.67 -28.01 41.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.806 0.336 . . . . 0.0 111.578 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.62 -47.43 17.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.256 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' B' ' 24' ' ' GLN . 38.1 t -50.75 -47.74 28.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.125 0.488 . . . . 0.0 110.17 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.02 -40.79 96.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.976 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -77.01 -28.18 54.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -107.96 -47.11 3.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 20' ' ' VAL . 26.9 mm-40 66.38 66.05 0.76 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.515 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.57 159.92 47.77 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.804 2.336 . . . . 0.0 112.447 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -60.77 -40.35 55.13 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.142 1.894 . . . . 0.0 111.906 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -132.6 130.92 40.87 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.724 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.36 -51.17 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.619 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -48.72 -33.17 4.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 121.052 0.453 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.47 -55.82 5.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.335 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -58.38 -25.64 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.92 23.03 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -55.0 -33.82 30.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.91 0.386 . . . . 0.0 111.06 -179.315 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -78.29 -45.39 22.86 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.13 -48.03 81.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.476 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 44.0 m-85 -67.15 -39.03 86.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.528 0.204 . . . . 0.0 111.459 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.595 HG23 ' O ' ' B' ' 33' ' ' VAL . 32.7 p -65.75 -33.85 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.946 0.403 . . . . 0.0 110.486 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -59.87 -39.93 86.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.866 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 74.0 mt -68.47 -55.94 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.555 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -53.28 -54.47 35.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.841 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -59.35 -20.51 55.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.444 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' B' ' 39' ' ' LEU . . . -53.62 -27.16 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.827 0.346 . . . . 0.0 111.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.34 157.88 6.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.185 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.852 0.358 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 33.4 mtm -76.2 110.17 10.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -88.2 116.5 26.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -158.44 91.4 1.08 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.831 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . 0.694 HD13 ' N ' ' C' ' 583' ' ' GLY . 0.1 OUTLIER -137.86 126.47 32.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.844 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . 0.694 ' N ' HD13 ' C' ' 582' ' ' ILE . . . -69.23 -124.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.585 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 60.9 p -170.65 137.28 1.31 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.749 0.309 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -72.31 -57.51 4.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 11.8 p 59.71 173.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' C' ' 588' ' ' TYR . . . -173.41 -62.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.59 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' C' ' 587' ' ' GLY . 56.0 p90 168.9 27.55 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.694 0.398 . . . . 0.0 110.927 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 16.5 t -110.44 126.35 29.05 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.239 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.79 -169.55 0.57 Allowed 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.945 1.763 . . . . 0.0 112.255 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.61 -71.02 0.31 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -48.55 -32.33 7.86 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 3' ' ' ILE . 12.7 mm -71.69 -27.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.421 ' CH2' ' OE1' ' B' ' 14' ' ' GLN . 56.5 t-105 -79.38 -45.81 18.8 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.723 0.297 . . . . 0.0 111.355 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -57.03 -46.22 82.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -67.53 -59.87 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.2 -36.08 18.84 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.14 -38.9 89.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.99 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -61.03 -43.5 98.79 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.489 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.91 -43.71 69.95 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . 0.419 ' O ' ' CB ' ' C' ' 605' ' ' LYS . 15.2 t -72.47 -41.7 64.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.89 -45.21 93.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.857 0.361 . . . . 0.0 110.674 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.96 -54.33 32.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 13' ' ' LEU . 2.5 p -67.65 -27.16 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . 0.532 ' CG ' HD12 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -75.29 -52.33 11.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.944 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.2 -24.06 62.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.936 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -78.47 -50.76 11.07 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.24 -29.3 2.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 118.331 0.514 . . . . 0.0 112.324 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . 0.547 ' SD ' HD11 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -66.03 -32.56 74.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.315 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 3.1 m -66.02 -40.26 90.9 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -62.39 -26.03 68.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.308 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.05 -26.21 21.53 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.78 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.34 12.8 3.32 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.552 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -144.74 31.12 1.17 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.937 0.399 . . . . 0.0 110.718 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.104 179.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.34 38.16 25.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.788 0.328 . . . . 0.0 111.188 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.0 141.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.807 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -96.55 -49.74 1.94 Allowed Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.0 p 70.64 9.86 6.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -177.03 51.86 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 28.1 p -173.6 -43.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -131.62 97.57 4.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.073 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.9 mt -136.88 78.14 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.099 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -109.9 129.73 55.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.508 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.553 HD13 HD11 ' B' ' 21' ' ' LEU . 24.8 mm -46.84 103.71 0.37 Allowed Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.413 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -53.9 117.34 3.76 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.242 1.961 . . . . 0.0 112.647 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -47.34 146.22 7.33 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.746 1.631 . . . . 0.0 111.814 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.67 -24.3 10.8 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.223 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.22 -53.83 44.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 117.051 0.426 . . . . 0.0 111.049 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -40.16 65.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.98 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -65.14 -34.83 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.603 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.82 -44.51 69.84 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.49 -27.28 64.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.729 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' O ' HG22 ' A' ' 18' ' ' VAL . 2.1 tt0 -65.72 -43.88 87.73 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.377 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.99 -46.13 70.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.806 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -68.31 -46.15 71.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -56.74 -59.8 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 14' ' ' GLN . 33.3 m -54.86 -34.47 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 111.53 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.98 -31.76 68.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.997 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.1 t -71.52 -38.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.761 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.4 mt -73.48 -30.23 63.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -85.28 -25.73 27.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -112.03 -43.66 3.55 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 63.83 75.01 0.4 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.698 0.285 . . . . 0.0 110.486 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.37 166.66 27.15 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.554 2.169 . . . . 0.0 112.379 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.95 -35.04 12.79 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.415 2.077 . . . . 0.0 112.421 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -132.82 145.37 50.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.078 0.466 . . . . 0.0 111.149 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -82.7 -48.01 11.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.32 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 30' ' ' GLU . 12.7 p -58.4 -44.98 89.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 29' ' ' VAL . 25.1 tt0 -63.99 -47.94 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.59 -29.5 70.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.749 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.07 85.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.98 -59.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.67 -34.2 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.852 0.358 . . . . 0.0 110.745 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -78.19 -53.62 7.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.709 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -67.12 -48.98 66.44 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.6 p -52.83 -54.73 30.16 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.89 0.376 . . . . 0.0 110.813 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -34.28 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.691 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.56 -56.17 25.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.358 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -59.27 -44.99 92.39 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.027 0.441 . . . . 0.0 111.005 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -66.49 -28.02 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.44 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.39 87.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.99 143.02 26.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.13 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -94.29 21.57 6.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.553 0.216 . . . . 0.0 111.398 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 7.1 ptp -107.63 -28.39 9.77 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.774 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -169.29 155.05 24.98 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.406 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 80.2 p -68.16 -81.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.697 0.284 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -101.56 -72.22 0.69 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.618 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 79.1 p -170.3 -71.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.188 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -178.34 132.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.9 mt 68.03 85.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.067 -177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.44 119.86 0.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.237 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 1.9 mp -50.5 107.87 0.9 Allowed Pre-proline 0 CA--C 1.536 0.423 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.649 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.78 175.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.159 1.906 . . . . 0.0 112.468 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.3 109.02 1.37 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.881 2.387 . . . . 0.0 112.309 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.83 -36.91 3.29 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.964 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.447 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.9 tt -46.61 -49.06 19.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.428 HG23 HG11 ' C' ' 601' ' ' VAL . 25.9 m -49.92 -38.76 37.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 110.116 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.21 -36.89 85.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.333 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.79 -55.24 15.8 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.683 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.17 -34.39 73.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.354 0.597 . . . . 0.0 109.577 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.456 ' HB2' HG21 ' C' ' 601' ' ' VAL . 1.1 tm0? -72.9 -45.73 56.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.204 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.18 -28.49 54.42 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.47 ' O ' HG23 ' B' ' 20' ' ' VAL . 48.1 t80 -79.86 -45.83 17.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.868 0.366 . . . . 0.0 111.273 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.638 HG21 ' HB3' ' C' ' 600' ' ' ALA . 6.2 p -54.31 -55.45 28.19 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -46.06 -34.8 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.996 0.427 . . . . 0.0 111.889 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -79.48 -48.56 13.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.439 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 16' ' ' TYR . 82.7 t -54.23 -53.77 26.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.28 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.553 HD11 HD13 ' A' ' 5' ' ' ILE . 2.1 mm? -56.11 -42.99 77.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.123 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.491 ' NH1' ' CZ ' ' C' ' 588' ' ' TYR . 2.4 tmm_? -85.45 -22.98 28.04 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -95.08 -38.69 10.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 0.0 111.059 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 55.61 80.32 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.704 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -85.03 163.92 11.59 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.739 2.293 . . . . 0.0 112.713 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.43 -37.65 4.12 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.335 2.023 . . . . 0.0 111.849 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -132.6 136.61 46.64 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 mt -75.74 -42.49 50.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.111 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.11 -40.86 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.378 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -75.69 -40.43 55.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -71.64 -29.02 64.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.921 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -77.86 -52.6 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.665 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.648 ' O ' ' OG1' ' B' ' 37' ' ' THR . 6.1 p -51.73 -50.28 32.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.432 ' N ' HG13 ' B' ' 33' ' ' VAL . 82.1 mt-10 -59.63 -39.42 84.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 0.0 111.239 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -62.48 -48.53 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -75.79 -46.82 28.59 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.648 ' OG1' ' O ' ' B' ' 33' ' ' VAL . 0.2 OUTLIER -62.16 -26.37 68.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 111.194 -179.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -39.31 37.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.202 0.525 . . . . 0.0 109.872 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.89 -49.07 76.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.344 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -47.82 -41.09 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.744 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.01 -7.52 49.26 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.74 74.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.708 0.289 . . . . 0.0 111.516 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' B' ' 44' ' ' ALA . 0.0 OUTLIER -61.14 171.18 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.155 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' B' ' 43' ' ' ARG . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.668 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.708 0.29 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -165.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.633 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -97.28 39.11 1.2 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' C' ' 582' ' ' ILE . 22.6 t70 -156.58 139.03 14.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.711 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . 0.584 ' O ' HG23 ' C' ' 582' ' ' ILE . 4.9 tp 29.38 105.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 121.531 0.681 . . . . 0.0 112.704 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -76.57 -123.38 0.19 Allowed Glycine 0 CA--C 1.518 0.243 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.592 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 50.6 m -156.48 73.96 0.81 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.89 0.376 . . . . 0.0 110.671 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -60.48 84.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.293 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 74.3 m -167.61 89.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -85.54 -169.68 46.23 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.023 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . 0.657 ' CG ' ' O ' ' C' ' 588' ' ' TYR . 3.6 t80 166.18 34.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.441 0.639 . . . . 0.0 110.271 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.709 HG23 ' O ' ' C' ' 589' ' ' VAL . 24.2 m -101.43 99.11 10.47 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.614 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -63.36 -170.12 0.1 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 121.136 1.224 . . . . 0.0 111.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.73 -88.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -48.4 -28.69 3.39 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' B' ' 22' ' ' ARG . 35.2 mm -74.68 -28.36 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.466 0.174 . . . . 0.0 111.459 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -79.96 -47.26 15.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -55.51 -43.07 75.34 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.17 -59.58 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.31 -42.92 42.87 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -30.77 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.009 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.14 -40.62 90.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.638 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -56.77 -31.97 65.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.693 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . 0.456 HG21 ' HB2' ' B' ' 14' ' ' GLN . 15.8 t -82.98 -42.88 18.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 0.0 109.979 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -75.64 -56.23 4.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.415 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.452 HG12 ' O ' ' C' ' 600' ' ' ALA . 9.7 p -63.63 -27.81 43.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -44.1 43.35 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.248 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -63.19 -26.5 68.83 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 -55.62 5.09 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.99 -32.81 2.97 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -64.16 -31.48 72.69 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.353 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 94.0 m -66.84 -37.63 84.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' C' ' 615' ' ' ALA . 30.2 tp10 -58.92 -25.68 63.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.271 179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.37 -56.28 3.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.173 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -56.9 -21.16 27.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.712 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -163.2 68.2 0.2 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.907 0.384 . . . . 0.0 111.113 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' C' ' 611' ' ' GLU . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 60.11 156.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.82 -80.0 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.596 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 161.22 159.29 9.91 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.65 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 14.9 t -170.72 71.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 12.9 ptp -169.21 -175.77 2.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.5 m -68.15 67.89 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.945 0.402 . . . . 0.0 111.03 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.415 ' CD2' ' OE1' ' A' ' 4' ' ' GLN . 3.1 t-160 -149.57 119.14 6.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.827 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mt -145.18 146.88 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.725 -179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.415 ' OE1' ' CD2' ' A' ' 2' ' ' HIS . 0.9 OUTLIER -160.48 129.17 4.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.524 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.401 HD12 ' HG3' ' C' ' 596' ' ' LYS . 1.0 OUTLIER -47.72 108.58 0.92 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.48 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.58 110.31 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.549 2.166 . . . . 0.0 112.83 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.33 151.99 2.54 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.131 1.888 . . . . 0.0 111.847 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -21.94 4.0 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.024 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.09 -43.62 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.988 0.394 . . . . 0.0 111.343 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.91 -41.99 64.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.06 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -63.63 -34.6 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.37 -45.18 69.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.147 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' HB3' HG11 ' C' ' 604' ' ' VAL . 7.3 mp -70.15 -32.7 70.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.603 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.595 ' O ' HG22 ' A' ' 18' ' ' VAL . 2.8 tt0 -58.24 -45.12 88.33 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.56 -44.72 68.08 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.138 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -72.49 -47.07 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.923 0.392 . . . . 0.0 111.011 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -57.33 -59.87 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 14' ' ' GLN . 27.0 m -49.84 -26.12 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.2 -34.81 59.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.521 0.193 . . . . 0.0 111.521 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.42 -36.65 78.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.443 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD11 HD13 ' B' ' 5' ' ' ILE . 4.5 mp -72.79 -40.91 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.188 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -82.17 -23.03 35.76 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -108.87 -52.23 2.79 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 66.56 87.63 0.12 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.235 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -93.53 164.5 2.34 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.393 2.729 . . . . 0.0 112.954 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -82.1 -26.32 2.94 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.572 2.182 . . . . 0.0 112.562 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.39 137.68 47.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.021 0.439 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.19 -51.3 10.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.265 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 30' ' ' GLU . 9.3 p -56.83 -41.79 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.595 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 29' ' ' VAL . 56.8 mt-10 -68.79 -49.38 59.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.99 0.424 . . . . 0.0 110.752 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -63.05 -25.21 68.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.748 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.07 -44.4 26.41 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 37' ' ' THR . 2.4 p -72.14 -34.84 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.87 -34.34 77.57 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.136 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -78.88 -46.85 17.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.73 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.67 -48.93 67.79 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.466 HG22 ' CG1' ' B' ' 33' ' ' VAL . 40.8 p -53.0 -55.12 26.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.947 0.403 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -46.69 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.36 -179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tt -48.48 -56.25 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.701 0.286 . . . . 0.0 111.126 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -62.5 -49.38 75.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.05 -25.76 68.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.833 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.18 78.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.349 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -61.46 108.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.192 -0.909 . . . . 0.0 111.392 179.563 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.26 177.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.81 94.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -80.02 140.83 22.72 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 66.4 m -67.95 147.87 51.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . 0.433 ' O ' ' CD2' ' B' ' 2' ' ' HIS . 9.5 ptm -168.7 159.44 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 4.6 m 71.92 3.63 4.74 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.56 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' B' ' -2' ' ' MET . 0.3 OUTLIER -160.03 -167.59 1.99 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 179.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 30.2 mm 72.95 66.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 110.723 -178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -162.34 122.36 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.25 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 21' ' ' LEU . 8.4 mm -67.89 114.85 22.7 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.078 -179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.14 112.73 0.78 Allowed 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.013 1.808 . . . . 0.0 112.14 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.8 98.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.427 2.085 . . . . 0.0 113.029 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.66 -29.54 2.12 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.64 -40.12 82.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.444 0.164 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.418 HG23 ' HE3' ' C' ' 605' ' ' LYS . 15.2 m -52.13 -44.01 64.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.927 0.394 . . . . 0.0 110.599 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.23 -39.78 94.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.548 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.47 -57.59 12.11 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.931 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.32 -34.55 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.038 0.447 . . . . 0.0 110.017 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -70.65 -33.34 70.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.245 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.426 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -68.03 -32.44 76.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.307 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -80.25 -45.76 17.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.862 0.363 . . . . 0.0 110.794 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.603 HG22 HD23 ' B' ' 21' ' ' LEU . 2.1 m -59.16 -32.37 69.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.426 HG22 ' O ' ' B' ' 15' ' ' GLY . 3.4 m -59.6 -25.95 33.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -77.99 -53.82 6.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' B' ' 17' ' ' THR . 30.0 m -55.95 -40.43 62.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-O 121.044 0.45 . . . . 0.0 110.405 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.603 HD23 HG22 ' B' ' 17' ' ' THR . 2.4 mm? -59.02 -40.88 86.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.351 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -72.18 -44.27 63.27 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -105.22 -46.02 4.35 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' B' ' 20' ' ' VAL . 5.6 mm-40 73.46 73.47 0.23 Allowed Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.094 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.73 170.57 9.77 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.545 2.163 . . . . 0.0 112.839 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.05 -30.01 7.54 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.684 2.256 . . . . 0.0 112.522 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -132.4 131.73 42.1 Favored 'General case' 0 N--CA 1.46 0.074 0 CA-C-O 121.116 0.484 . . . . 0.0 111.126 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.28 -48.55 15.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.756 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.418 ' O ' HG23 ' B' ' 33' ' ' VAL . 12.3 p -59.16 -41.03 82.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -66.31 -56.33 11.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.94 0.4 . . . . 0.0 111.035 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -56.92 -25.08 56.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.989 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.88 -43.78 34.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.488 ' O ' HG23 ' B' ' 37' ' ' THR . 0.3 OUTLIER -57.37 -59.44 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.932 -179.339 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -52.93 -40.33 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.624 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -63.01 -49.59 74.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.53 -25.37 65.8 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.217 -0.193 . . . . 0.0 111.5 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.488 HG23 ' O ' ' B' ' 33' ' ' VAL . 71.8 p -77.08 -40.75 44.96 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.055 0.455 . . . . 0.0 110.207 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -57.17 -43.41 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.28 -49.52 73.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.713 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -64.52 -41.97 96.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.751 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -72.58 -18.62 61.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.321 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.64 -40.26 65.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 111.455 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 143.68 34.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.019 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.323 -0.846 . . . . 0.0 111.214 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' C' ' 580' ' ' ALA . . . . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.643 0.258 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 32.2 mmt 57.6 -82.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.064 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' C' ' 578' ' ' ALA . . . -142.33 56.86 1.45 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.961 0.41 . . . . 0.0 110.718 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.49 138.4 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.71 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 48.1 mt -82.55 106.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . -129.64 -166.81 11.96 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.138 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' C' ' 585' ' ' ALA . 47.1 m -169.28 177.19 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.754 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' C' ' 584' ' ' SER . . . 68.99 12.35 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.762 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 3.3 m 179.72 94.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.663 0.268 . . . . 0.0 110.792 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 169.94 119.89 0.51 Allowed Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.937 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 1.1 p90 169.04 26.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.706 0.288 . . . . 0.0 111.301 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.534 HG21 ' HE3' ' C' ' 594' ' ' TRP . 25.1 m -112.43 119.65 43.1 Favored Pre-proline 0 N--CA 1.466 0.363 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.09 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -61.67 -170.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.324 1.349 . . . . 0.0 111.447 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.89 -41.31 44.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.53 -30.63 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.76 -27.92 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.534 ' HE3' HG21 ' C' ' 589' ' ' VAL . 61.7 t-105 -79.47 -43.8 22.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.124 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -58.6 -45.03 90.02 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.401 ' HG3' HD12 ' A' ' 5' ' ' ILE . 9.2 tptt -63.85 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.71 -33.47 10.22 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -65.27 -34.09 77.53 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.678 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.53 -45.79 74.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.5 -33.61 55.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.785 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . 0.543 ' O ' ' HB2' ' C' ' 605' ' ' LYS . 65.7 t -83.16 -41.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.93 -37.52 87.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.905 0.383 . . . . 0.0 110.16 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -66.91 -55.82 12.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 13' ' ' LEU . 11.3 p -61.98 -26.41 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' C' ' 601' ' ' VAL . 2.1 ttmm -71.59 -51.84 21.22 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.477 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -27.04 67.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.592 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -79.33 -55.5 5.03 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.238 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.8 -34.92 9.24 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.819 -0.551 . . . . 0.0 111.986 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 6.1 ptm -65.74 -33.75 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.795 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -39.76 77.4 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.22 -26.61 61.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.392 0.615 . . . . 0.0 110.025 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -37.5 14.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.722 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.95 -11.83 59.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 38.03 1.83 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.812 0.339 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.056 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.58 105.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.607 0.242 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 62.32 32.77 16.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.104 0.478 . . . . 0.0 110.053 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -87.3 -75.23 1.27 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.65 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' -2' ' ' MET . 6.4 m 61.53 29.54 18.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.588 0.233 . . . . 0.0 111.172 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . 0.412 ' O ' ' O ' ' A' ' -3' ' ' SER . 0.0 OUTLIER 58.82 141.06 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.4 m -165.02 -169.75 1.75 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.772 ' O ' HD13 ' A' ' 3' ' ' ILE . 4.5 t60 -140.69 78.2 1.64 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.128 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 2' ' ' HIS . 11.2 mm -144.48 -59.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 61.97 99.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.125 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.3 mm -50.18 105.94 0.58 Allowed Pre-proline 0 CA--C 1.537 0.465 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.764 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -52.7 152.15 17.6 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.233 1.955 . . . . 0.0 112.502 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -81.45 149.83 16.88 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.443 2.095 . . . . 0.0 111.95 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.67 -21.71 7.29 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.37 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -46.48 81.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.773 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -57.68 -41.56 81.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.111 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.38 -30.93 71.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.517 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -43.68 62.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 111.295 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.62 -30.15 66.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.566 ' O ' HG22 ' A' ' 18' ' ' VAL . 1.7 tt0 -64.39 -42.96 95.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.4 -45.49 75.47 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.877 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.827 ' O ' HG23 ' A' ' 20' ' ' VAL . 50.0 t80 -70.47 -48.53 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.978 0.418 . . . . 0.0 111.034 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -52.91 -59.93 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 14' ' ' GLN . 26.9 m -54.2 -30.85 21.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -78.48 -42.71 28.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.532 0.206 . . . . 0.0 111.262 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 16' ' ' TYR . 25.4 t -54.22 -41.62 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.702 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.27 -37.48 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.235 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -60.24 -34.08 73.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -112.49 -27.54 8.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 55.06 82.88 0.23 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.491 0.186 . . . . 0.0 110.578 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -82.29 169.7 13.97 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.586 2.19 . . . . 0.0 112.59 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.35 -31.64 8.97 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.53 2.153 . . . . 0.0 112.269 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -132.62 141.35 48.62 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.14 0.495 . . . . 0.0 110.944 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mt -86.11 -30.41 22.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.167 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG22 ' HG2' ' B' ' 40' ' ' ARG . 7.4 p -72.51 -41.59 63.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.49 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 29' ' ' VAL . 10.5 tm-20 -70.42 -56.08 7.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 110.733 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -50.75 -25.44 4.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.697 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -71.19 -41.86 69.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.35 -59.22 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.03 -33.63 11.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.821 0.343 . . . . 0.0 111.309 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -78.51 -48.55 15.08 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -72.77 -48.48 37.94 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.1 p -52.89 -51.53 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 111.109 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -54.38 -53.05 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.31 -56.02 9.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.491 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HG2' ' CG1' ' B' ' 29' ' ' VAL . 0.4 OUTLIER -68.79 -51.57 39.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.86 0.362 . . . . 0.0 111.093 -179.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.87 -19.38 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.94 49.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -64.77 118.95 9.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.03 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.473 179.461 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 60.88 152.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 111.183 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -51.83 9.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . 73.41 42.15 42.53 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.519 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 15.3 t 58.04 93.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.756 0.312 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 17.5 ptp -100.64 -29.66 12.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.23 110.3 20.08 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.702 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.14 26.22 10.02 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.635 HG21 HD13 ' C' ' 612' ' ' LEU . 4.6 mp -78.32 150.65 5.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -145.02 144.66 31.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.788 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -74.76 116.56 54.81 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.353 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.05 165.13 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.351 2.034 . . . . 0.0 112.032 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -82.11 103.12 1.28 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.458 2.105 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.25 2.16 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.416 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -48.26 -46.73 36.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.58 0.229 . . . . 0.0 110.788 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 m -54.53 -46.63 73.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.467 . . . . 0.0 110.414 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.0 -37.63 88.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.463 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.1 mm? -62.47 -48.46 79.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.79 0.329 . . . . 0.0 110.27 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -66.12 -28.37 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.93 -43.24 75.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.32 -31.42 69.79 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.217 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -79.39 -49.23 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.766 0.317 . . . . 0.0 111.387 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.483 HG21 ' HB3' ' C' ' 600' ' ' ALA . 2.7 p -52.23 -58.45 6.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.695 0.283 . . . . 0.0 111.661 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.77 -40.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.412 ' OE2' ' CD1' ' B' ' 35' ' ' TYR . 15.5 pt-20 -79.05 -33.11 45.0 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.744 0.307 . . . . 0.0 111.041 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' B' ' 24' ' ' GLN . 24.9 t -62.14 -51.96 66.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.059 0.457 . . . . 0.0 110.005 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.491 HD12 HG22 ' A' ' 3' ' ' ILE . 3.3 mm? -55.12 -50.4 69.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -68.94 -23.47 64.16 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -108.23 -45.33 3.95 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' B' ' 20' ' ' VAL . 53.1 mm-40 63.71 86.51 0.14 Allowed Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.133 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -86.22 166.48 9.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.74 2.293 . . . . 0.0 112.891 -178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -71.41 -38.33 4.74 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.331 2.02 . . . . 0.0 111.471 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -132.54 131.9 42.03 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.337 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 mt -77.69 -23.33 49.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.57 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.544 ' CG1' ' HG2' ' A' ' 40' ' ' ARG . 5.2 t -70.36 -56.58 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 111.366 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -67.09 -44.35 80.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.721 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -55.86 -27.35 51.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.738 0.304 . . . . 0.0 111.204 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.77 -34.69 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.188 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.35 -56.8 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.982 0.42 . . . . 0.0 110.528 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -57.47 -33.73 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.412 ' CD1' ' OE2' ' B' ' 19' ' ' GLU . 78.4 t80 -71.82 -50.23 31.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -71.07 -24.81 62.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -82.3 -34.94 28.43 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -30.88 71.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.118 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -47.25 20.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.255 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.427 ' HG2' HG22 ' A' ' 29' ' ' VAL . 4.4 mmm180 -53.88 -61.33 2.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -50.3 -33.26 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.307 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.558 ' O ' ' O ' ' B' ' 43' ' ' ARG . . . -70.98 -38.22 72.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.581 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.558 ' O ' ' O ' ' B' ' 42' ' ' ALA . 0.0 OUTLIER 35.93 -174.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.428 179.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.322 -179.629 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.872 0.368 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 2.9 tpt 62.22 157.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . -57.35 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.995 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 1.2 t70 70.88 -168.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.592 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 29.8 mt 67.05 -65.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.33 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 173.14 -155.61 22.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 60.1 p -70.08 -46.32 65.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 55.75 71.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.236 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 18.6 p 50.48 74.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.323 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 157.31 103.11 0.2 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.795 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . 0.482 ' C ' HG13 ' C' ' 589' ' ' VAL . 5.6 t80 -43.93 151.86 0.2 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.473 0.178 . . . . 0.0 111.145 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.482 HG13 ' C ' ' C' ' 588' ' ' TYR . 0.8 OUTLIER 62.77 136.15 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.267 -179.062 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' C' ' 591' ' ' GLU . 95.7 Cg_endo -75.7 106.7 2.32 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.308 2.005 . . . . 0.0 113.228 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' C' ' 590' ' ' PRO . 29.4 mm-40 11.34 -77.8 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' C' ' 590' ' ' PRO . 67.1 mt-10 -45.4 -29.47 1.09 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -178.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . 0.619 HD13 HD12 ' A' ' 3' ' ' ILE . 8.1 mm -74.91 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.604 0.24 . . . . 0.0 110.749 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.533 ' CD2' ' OE2' ' C' ' 598' ' ' GLU . 51.1 t-105 -79.59 -50.53 10.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.738 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -55.44 -44.05 75.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.816 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -54.88 6.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -48.78 -37.75 19.96 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.008 -0.432 . . . . 0.0 111.5 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . 0.533 ' OE2' ' CD2' ' C' ' 594' ' ' TRP . 0.0 OUTLIER -67.22 -34.84 78.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.126 -179.118 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.483 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -56.58 -28.58 60.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 12.9 t -83.29 -44.86 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.923 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -64.91 -33.75 76.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.273 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.82 -55.99 5.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.481 HG12 ' O ' ' C' ' 600' ' ' ALA . 7.5 p -63.35 -29.32 46.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.86 -44.2 41.9 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -60.55 -26.66 67.08 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -54.08 6.33 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.98 -36.9 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.993 -0.442 . . . . 0.0 112.181 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . 0.558 ' HA ' HD12 ' C' ' 612' ' ' LEU . 14.0 ptp -67.8 -35.53 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.973 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.71 78.45 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.27 -27.82 69.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.717 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . 0.635 HD13 HG21 ' B' ' 3' ' ' ILE . 10.0 mt -84.29 -31.59 24.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.249 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.73 -11.07 59.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.939 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -126.0 31.67 5.41 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.875 0.369 . . . . 0.0 110.815 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.003 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . -168.83 94.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 14.4 mmt -142.25 102.98 4.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.62 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -170.19 -49.41 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.542 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.2 p 79.33 -51.61 0.42 Allowed 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 122.344 0.258 . . . . 0.0 111.245 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 28.3 mtm 59.9 102.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 91.8 p -78.69 90.19 4.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 175.9 -58.65 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.964 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mt -140.21 155.01 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.211 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -157.86 112.92 2.69 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -45.57 106.13 0.53 Allowed Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.901 179.444 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.17 119.64 5.68 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 122.355 2.037 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.98 147.39 3.5 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 121.955 1.77 . . . . 0.0 111.802 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.67 24.96 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.804 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.437 HD21 HG23 ' B' ' 17' ' ' THR . 0.5 OUTLIER -60.23 -37.71 81.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -65.2 -47.31 77.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -63.57 -29.57 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.69 -39.99 66.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.7 0.286 . . . . 0.0 111.123 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.0 mt -75.94 -29.4 58.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.752 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -47.15 78.16 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.379 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.64 -42.71 67.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.749 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.832 ' O ' HG23 ' A' ' 20' ' ' VAL . 45.4 t80 -73.45 -48.04 36.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.897 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.7 m -51.37 -59.74 3.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.766 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 p -57.12 -31.78 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.862 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' OE1' ' CZ ' ' A' ' 31' ' ' PHE . 3.7 tt0 -73.82 -45.06 53.72 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.817 0.341 . . . . 0.0 110.944 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 16' ' ' TYR . 41.6 t -53.84 -40.73 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.49 -34.9 60.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.822 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -68.79 -34.51 75.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -104.14 -29.61 10.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 56.97 82.55 0.24 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.765 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -84.99 162.62 11.74 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.882 2.388 . . . . 0.0 112.553 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.59 -27.32 6.3 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.464 2.109 . . . . 0.0 112.062 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -132.43 137.35 47.26 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -83.25 -37.18 23.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.66 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 30' ' ' GLU . 9.0 p -65.4 -42.13 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.534 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 29' ' ' VAL . 7.8 tp10 -73.31 -50.16 23.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.06 0.457 . . . . 0.0 110.776 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.405 ' CZ ' ' OE1' ' A' ' 19' ' ' GLU . 43.1 t80 -59.25 -25.05 63.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.376 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -74.94 -44.59 47.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -28.78 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -71.18 -33.6 70.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -78.76 -38.9 37.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.78 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.9 -52.63 9.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.4 p -52.76 -55.07 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.263 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -49.96 -52.04 36.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.83 0.348 . . . . 0.0 110.653 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.36 -55.51 10.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.347 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -62.98 -57.28 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.832 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -54.06 -23.07 12.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.523 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.22 -33.37 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.85 0.357 . . . . 0.0 111.303 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.39 158.2 24.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.233 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . 59.8 43.58 15.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.692 0.282 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 3.4 mmt 61.71 52.45 3.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.164 0.507 . . . . 0.0 110.145 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -54.72 117.44 8.02 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.649 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 13.6 t -68.54 76.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 111.162 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 84.3 mtp 55.81 167.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.37 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 13.3 t -92.84 106.97 18.85 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.703 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.505 ' H ' HD12 ' B' ' 3' ' ' ILE . 0.3 OUTLIER 174.5 38.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.019 179.586 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.505 HD12 ' H ' ' B' ' 2' ' ' HIS . 3.3 mp -68.79 150.61 10.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.192 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -141.24 134.61 29.68 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.603 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 43.3 mm -66.11 114.47 16.82 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.325 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.18 -179.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.036 1.824 . . . . 0.0 111.766 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -92.25 116.46 0.38 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.788 2.325 . . . . 0.0 112.732 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.97 -31.62 6.66 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.205 -0.522 . . . . 0.0 112.966 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -47.71 -50.21 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.512 0.196 . . . . 0.0 111.192 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.9 m -54.41 -46.35 73.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 111.365 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.45 -41.05 96.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.117 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 12' ' ' LEU . 4.0 mm? -60.42 -57.44 12.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.517 0.199 . . . . 0.0 111.292 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.46 -32.94 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 110.001 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -72.72 -45.17 60.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.888 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.425 ' O ' HG12 ' B' ' 18' ' ' VAL . . . -56.16 -35.72 65.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.784 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' B' ' 32' ' ' ALA . 63.0 t80 -79.87 -45.25 18.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.097 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.437 HG23 HD21 ' A' ' 9' ' ' LEU . 89.0 m -58.14 -37.78 75.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.182 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 15' ' ' GLY . 0.3 OUTLIER -62.47 -29.28 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.84 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.11 -43.37 24.21 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.36 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 24' ' ' GLN . 21.5 t -57.8 -41.09 78.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.228 0.537 . . . . 0.0 110.29 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' C' ' 597' ' ' ALA . 11.3 mt -61.15 -49.49 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.384 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -67.9 -27.81 66.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -109.57 -51.82 2.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 20' ' ' VAL . 44.9 mt-30 66.05 86.5 0.13 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.288 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' B' ' 20' ' ' VAL . 63.6 Cg_endo -86.32 173.7 6.46 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.933 2.422 . . . . 0.0 112.549 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.42 -27.58 11.07 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.429 2.086 . . . . 0.0 112.407 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.5 138.59 47.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.151 0.5 . . . . 0.0 110.831 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -83.66 -38.42 21.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.235 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.38 -39.5 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.654 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -70.88 -56.45 6.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.84 0.352 . . . . 0.0 111.271 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -56.77 -25.02 54.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.416 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . . . -74.22 -41.67 60.99 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.502 ' O ' HG23 ' B' ' 37' ' ' THR . 53.3 t -60.27 -59.23 4.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -50.9 -33.11 22.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -68.73 -49.73 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.22 -36.04 69.03 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.984 -0.287 . . . . 0.0 111.439 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.502 HG23 ' O ' ' B' ' 33' ' ' VAL . 58.7 p -63.71 -43.53 96.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.228 0.537 . . . . 0.0 109.972 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -40.6 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.249 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mp -73.25 -53.47 10.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mmm180 -56.28 -42.36 77.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.588 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.61 -12.45 58.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.633 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.81 -53.38 53.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 167.94 20.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.145 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.554 179.491 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.903 0.383 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 18.8 mtm -73.13 -49.29 29.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 61.55 117.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.039 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . 0.538 ' H ' HD12 ' C' ' 582' ' ' ILE . 17.9 t70 -134.13 51.15 2.14 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . 0.538 HD12 ' H ' ' C' ' 581' ' ' ASP . 4.1 mp -139.49 -55.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 59.54 85.6 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.58 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 86.1 p -171.24 128.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . -165.96 29.74 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.331 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 24.6 m -86.58 -45.07 11.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.895 0.378 . . . . 0.0 110.738 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . 171.2 153.93 9.35 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.15 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -94.25 19.69 9.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.853 0.359 . . . . 0.0 111.414 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . . . . . . . . . 2.3 m -96.92 119.44 63.53 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.919 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' C' ' 592' ' ' GLU . 59.1 Cg_endo -68.92 56.52 1.04 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.155 1.903 . . . . 0.0 113.508 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 54.64 -78.63 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 178.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' C' ' 590' ' ' PRO . 6.6 mp0 -47.58 -26.76 1.56 Allowed 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.48 -28.64 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.806 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -80.12 -46.57 16.21 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.776 0.322 . . . . 0.0 111.585 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -57.03 -43.78 82.27 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -66.73 -59.6 3.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . 0.459 ' HB2' ' CD1' ' B' ' 21' ' ' LEU . . . -49.14 -36.34 18.88 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.65 -34.39 77.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.556 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.13 -46.58 73.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.558 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.76 43.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 20.5 t -74.42 -37.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.7 -39.46 94.37 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -68.63 -56.49 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.171 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -26.87 38.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -75.05 -47.79 27.17 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.139 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -62.49 -23.96 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -79.34 -58.95 2.96 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.438 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -45.92 -31.33 2.13 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 14.5 ptp -72.45 -33.14 66.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.655 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -48.49 71.86 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.0 -20.39 57.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.117 0.484 . . . . 0.0 110.353 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 1.2 mt -89.21 -44.07 10.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.065 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -56.46 -19.65 16.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.227 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.57 17.46 10.1 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.778 0.323 . . . . 0.0 111.451 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.698 -179.757 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' ALA . . . . . . . . . . . . . . . 58.35 39.26 25.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.872 0.368 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' MET . . . . . . . . . . . . . 10.0 tpt -169.1 -48.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 90.28 -15.92 58.7 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.769 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 45.6 t 55.43 23.59 5.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.725 0.297 . . . . 0.0 111.082 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 19.4 ttt -170.84 135.1 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.737 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 98.5 p -66.42 166.63 12.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -160.1 115.18 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' B' ' 21' ' ' LEU . 6.2 tt -163.44 152.71 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.338 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -151.33 125.47 9.29 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.705 HD13 HD11 ' B' ' 21' ' ' LEU . 39.8 mm -49.58 108.01 0.9 Allowed Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -52.39 163.91 1.53 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.111 1.874 . . . . 0.0 112.873 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -93.18 149.08 2.49 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 122.959 2.44 . . . . 0.0 111.376 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.04 -20.17 17.61 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.59 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.788 HD12 HD11 ' B' ' 28' ' ' LEU . 0.8 OUTLIER -49.28 -60.46 2.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 111.147 -179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -48.62 -45.74 38.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.687 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.49 -35.76 70.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.71 -44.05 51.98 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.66 ' HB2' HG21 ' C' ' 604' ' ' VAL . 11.9 mt -71.81 -34.89 69.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 120.704 0.288 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.535 ' N ' HG21 ' C' ' 604' ' ' VAL . 0.2 OUTLIER -59.89 -41.34 91.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.105 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.42 -45.6 83.2 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.325 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -70.19 -47.82 59.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.809 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -55.41 -57.97 9.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.099 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.97 -33.39 52.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.499 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.72 -42.84 39.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.908 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 24' ' ' GLN . 15.2 t -54.95 -39.33 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.631 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.36 -42.36 59.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -66.19 -23.2 66.41 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -112.87 -44.83 3.25 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 20' ' ' VAL . 29.7 mm-40 63.56 79.13 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.47 172.38 9.3 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.824 2.35 . . . . 0.0 112.603 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -74.71 -31.64 6.55 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.5 2.133 . . . . 0.0 112.413 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -132.76 132.18 41.97 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.036 0.446 . . . . 0.0 110.97 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -76.95 -55.95 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.409 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -49.18 -38.59 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.683 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -68.51 -56.13 9.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.488 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -53.67 -25.13 16.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.826 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.475 ' CB ' ' CE1' ' B' ' 36' ' ' PHE . . . -73.11 -45.37 57.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -68.2 -35.53 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.142 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -66.91 -36.56 82.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.931 0.396 . . . . 0.0 110.355 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -79.02 -48.96 13.47 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -68.91 -48.17 63.96 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 33' ' ' VAL . 68.4 p -54.58 -48.58 71.93 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.043 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -50.0 -55.86 12.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.15 -44.39 64.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.485 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -39.3 88.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.798 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.79 -28.92 69.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.749 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.18 90.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.75 174.3 7.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.061 -179.899 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -6' ' ' ALA . . . . . . . . . . . . . . . -70.34 143.7 51.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -5' ' ' MET . . . . . . . . . . . . . 19.8 ptp -169.64 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -4' ' ' GLY . . . . . . . . . . . . . . . -80.64 -67.95 1.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.448 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' SER . . . . . . . . . . . . . 18.9 p 57.08 29.47 16.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.891 0.377 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' MET . . . . . . . . . . . . . 69.8 mtm -149.19 115.72 5.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.788 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' SER . . . . . . . . . . . . . 2.1 m 66.65 103.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.806 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' HIS . . . . . 0.535 ' H ' ' CD2' ' B' ' 2' ' ' HIS . 0.0 OUTLIER -93.06 -55.44 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.721 0.772 . . . . 0.0 109.295 179.366 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.457 HG22 ' H ' ' B' ' 4' ' ' GLN . 0.0 OUTLIER 68.43 -156.11 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.973 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.457 ' H ' HG22 ' B' ' 3' ' ' ILE . 0.0 OUTLIER 67.59 114.37 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.96 114.24 14.14 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.227 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.36 175.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.123 1.882 . . . . 0.0 111.51 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -88.04 128.0 2.25 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.495 2.13 . . . . 0.0 112.574 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.8 -26.68 16.9 Favored Glycine 0 C--N 1.335 0.515 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.67 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.408 HD11 HG11 ' A' ' 20' ' ' VAL . 1.4 tt -52.72 -45.81 67.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.472 0.177 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.551 HG23 ' HE2' ' C' ' 605' ' ' LYS . 1.1 m -54.54 -49.14 70.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.133 0.492 . . . . 0.0 110.673 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -58.41 -29.58 66.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.113 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.442 HD12 ' HB3' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -68.61 -57.7 5.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.08 -27.7 68.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.487 ' NE2' ' CH2' ' C' ' 594' ' ' TRP . 31.5 mt-30 -70.49 -39.76 74.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.03 82.86 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.009 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -79.5 -46.09 18.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.637 HG21 ' HB3' ' C' ' 600' ' ' ALA . 0.5 OUTLIER -55.7 -53.84 51.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.401 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -46.03 -31.05 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.491 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -53.3 7.05 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.548 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.463 HG11 HD11 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -56.56 -43.01 77.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.291 0.567 . . . . 0.0 110.228 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.705 HD11 HD13 ' A' ' 5' ' ' ILE . 3.5 mm? -56.9 -49.63 74.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.647 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.425 ' HB3' HD12 ' C' ' 593' ' ' ILE . 21.1 ptt85 -85.67 -22.83 27.7 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -96.93 -47.62 5.75 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 111.411 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 59.66 83.72 0.21 Allowed Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.597 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -85.69 171.18 8.54 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.762 2.308 . . . . 0.0 112.803 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -73.97 -33.29 6.26 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.596 2.197 . . . . 0.0 112.264 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -132.8 144.72 50.42 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 121.041 0.448 . . . . 0.0 110.779 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.788 HD11 HD12 ' A' ' 9' ' ' LEU . 1.8 mm? -82.92 -42.83 17.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.759 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -57.94 -56.57 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.326 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.11 -56.47 20.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -57.24 -27.64 62.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.71 -47.1 19.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.58 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.468 HG13 HG22 ' A' ' 37' ' ' THR . 78.9 t -59.53 -59.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -52.98 -45.17 67.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.006 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -61.33 -48.93 79.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.512 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 32' ' ' ALA . 5.0 m-85 -64.18 -42.8 96.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.926 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.435 HG23 ' O ' ' B' ' 33' ' ' VAL . 65.4 p -61.64 -41.02 96.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.909 179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -55.77 -44.78 78.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.655 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 42' ' ' ALA . 1.8 tt -67.79 -55.91 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -53.21 -57.81 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.26 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -54.35 -23.45 15.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.78 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 39' ' ' LEU . . . -47.25 -29.0 2.15 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.756 0.312 . . . . 0.0 111.402 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.42 154.19 42.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.741 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.173 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 578' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.67 0.272 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 579' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.63 -34.61 4.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 580' ' ' ALA . . . . . . . . . . . . . . . 57.05 64.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 111.315 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 581' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -73.37 118.7 16.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 582' ' ' ILE . . . . . . . . . . . . . 32.3 mt 66.88 -65.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.423 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 583' ' ' GLY . . . . . . . . . . . . . . . 141.94 145.7 4.56 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.298 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 584' ' ' SER . . . . . . . . . . . . . 51.5 p -172.75 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.663 0.268 . . . . 0.0 111.421 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 585' ' ' ALA . . . . . . . . . . . . . . . 68.64 -64.07 0.33 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.027 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 586' ' ' SER . . . . . . . . . . . . . 9.9 p 61.54 103.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.917 0.389 . . . . 0.0 111.471 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 587' ' ' GLY . . . . . . . . . . . . . . . -77.75 -24.66 64.3 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.205 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 588' ' ' TYR . . . . . . . . . . . . . 12.9 p90 173.11 25.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.83 0.348 . . . . 0.0 111.078 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 589' ' ' VAL . . . . . 0.502 HG23 ' O ' ' C' ' 589' ' ' VAL . 28.7 m -99.89 108.52 52.02 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.699 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 590' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.76 67.67 4.73 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.025 1.817 . . . . 0.0 113.229 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 591' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 58.87 -82.64 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 592' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -46.07 -30.34 1.84 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 593' ' ' ILE . . . . . 0.503 HD13 HD12 ' A' ' 3' ' ' ILE . 47.3 mm -75.77 -28.52 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 594' ' ' TRP . . . . . 0.487 ' CH2' ' NE2' ' B' ' 14' ' ' GLN . 73.3 t-105 -80.81 -48.03 13.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 595' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -58.68 -42.14 87.83 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.57 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 596' ' ' LYS . . . . . 0.497 ' HG3' HG21 ' A' ' 3' ' ' ILE . 20.5 mmmt -66.9 -60.48 2.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 597' ' ' ALA . . . . . . . . . . . . . . . -49.09 -34.69 14.39 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 598' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.7 -31.73 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 599' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -70.21 -45.92 65.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.408 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 600' ' ' ALA . . . . . 0.637 ' HB3' HG21 ' B' ' 17' ' ' THR . . . -53.71 -32.63 52.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 601' ' ' VAL . . . . . . . . . . . . . 41.3 t -82.78 -38.01 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 602' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -64.44 -35.56 81.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 603' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -57.0 6.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 604' ' ' VAL . . . . . 0.66 HG21 ' HB2' ' A' ' 13' ' ' LEU . 8.9 p -60.29 -26.74 37.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.899 0.381 . . . . 0.0 111.896 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 605' ' ' LYS . . . . . 0.551 ' HE2' HG23 ' B' ' 10' ' ' THR . 18.9 mttm -72.72 -50.06 27.1 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 606' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -25.12 68.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.012 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 607' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' C' ' 610' ' ' THR . 18.2 mt-30 -79.97 -57.48 3.62 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 608' ' ' ALA . . . . . . . . . . . . . . . -47.49 -33.89 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 121.884 -0.51 . . . . 0.0 112.341 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 609' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -67.19 -33.52 75.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 610' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' C' ' 607' ' ' GLN . 0.0 OUTLIER -70.6 -38.2 73.98 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 611' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' C' ' 615' ' ' ALA . 54.5 mm-40 -63.02 -27.47 69.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.394 0.616 . . . . 0.0 109.863 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 612' ' ' LEU . . . . . . . . . . . . . 8.2 mt -89.82 -55.67 3.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 613' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -48.28 -24.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.574 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 614' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -169.31 53.25 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.516 -0.474 . . . . 0.0 112.182 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 615' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' C' ' 611' ' ' GLU . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.118 179.257 . . . . . . . . 1 1 . 1 stop_ save_