data_1kmx_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 1kmx _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -93.84 166.16 12.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.451 0.643 . . . . 0.0 112.133 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.49 127.88 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.787 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -109.56 139.0 45.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.633 0.73 . . . . 0.0 112.298 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.41 142.55 24.99 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.504 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.16 -2.31 11.62 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.059 1.839 . . . . 0.0 114.166 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.65 -43.0 5.72 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 122.142 -0.349 . . . . 0.0 111.454 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 p -102.23 -18.49 15.47 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.0 m 63.94 17.94 10.88 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.288 0.368 . . . . 0.0 111.852 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -90.12 173.57 8.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.0 m -129.48 148.65 51.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.263 0.554 . . . . 0.0 112.043 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -140.27 136.1 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.492 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.5 m -59.51 150.79 25.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.99 0.424 . . . . 0.0 111.68 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -74.08 -57.92 3.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.666 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -63.91 151.18 43.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.662 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 163.03 15.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.14 -33.25 71.9 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 m -59.97 -44.96 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -60.05 -49.32 78.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.6 m -61.81 -45.94 91.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -20.66 62.9 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.754 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.58 -24.38 60.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -128.61 37.93 4.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 110.334 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 56.84 58.35 4.12 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.7 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.8 mt -138.98 168.68 19.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -132.77 115.32 15.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.285 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 tp -58.65 127.75 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.272 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -97.46 130.34 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.05 -2.74 32.21 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -79.88 -49.86 11.33 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.468 0.577 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 t -117.53 -3.11 11.38 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m 64.95 55.52 1.16 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -139.89 166.47 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.99 140.97 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -89.89 173.04 8.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.402 0.62 . . . . 0.0 111.802 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.99 125.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.479 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.78 133.02 44.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 111.616 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.92 144.32 85.22 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.555 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.32 -16.22 10.95 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.878 1.719 . . . . 0.0 113.625 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -106.7 -38.43 6.12 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.5 p -99.88 -24.4 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m 63.03 26.61 15.54 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.445 0.164 . . . . 0.0 111.383 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 142.82 27.36 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.5 m -99.86 134.45 42.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.353 0.597 . . . . 0.0 111.836 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.9 t -140.81 140.1 34.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.861 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.85 149.59 43.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.77 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -68.6 -58.51 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.15 145.23 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.481 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 p -107.91 164.49 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -35.75 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -57.9 -47.6 82.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -58.52 -48.81 79.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.4 m -59.71 -43.29 94.19 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.578 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -62.96 -23.0 67.21 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.51 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.63 64.73 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 111.17 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -122.91 36.36 4.66 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.158 0.504 . . . . 0.0 110.064 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 58.87 41.53 21.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.417 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.04 162.8 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -133.54 120.9 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 tp -51.34 121.04 5.66 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -89.86 126.68 35.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.448 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.27 -6.22 33.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -79.61 -54.29 6.03 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.562 0.619 . . . . 0.0 110.694 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.1 t -111.31 8.82 21.54 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m 55.37 26.15 8.41 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.085 0.402 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -110.77 -177.88 3.34 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.571 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.92 135.75 40.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -96.72 145.29 25.93 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.6 m -106.17 130.27 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -100.23 136.46 40.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.676 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.43 134.85 28.82 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -89.68 39.4 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.386 2.057 . . . . 0.0 113.568 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -148.82 -49.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.233 0.54 . . . . 0.0 110.133 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 p -101.16 -12.78 18.49 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.035 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 64.3 11.96 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 145.2 25.08 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -113.22 148.84 34.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.14 0.495 . . . . 0.0 111.468 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 m -140.33 144.78 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.7 m -57.89 139.65 53.76 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -61.93 -57.58 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.92 154.95 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.335 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -118.1 154.97 31.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.298 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.64 -35.38 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.954 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -57.61 -47.91 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -58.49 -46.81 85.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -61.27 -45.77 93.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.733 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -59.17 -23.25 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.609 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.09 52.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.71 0.291 . . . . 0.0 111.649 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -126.75 38.94 4.02 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 110.159 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 56.91 38.55 29.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.685 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.2 mt -119.36 161.87 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.316 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.16 120.03 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.967 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.3 tp -50.74 135.97 22.71 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -97.14 130.01 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.099 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.95 -22.5 61.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 mtt85 -79.84 -56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.1 t -95.63 -8.36 35.08 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 m 61.43 30.94 19.14 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.043 -0.41 . . . . 0.0 110.986 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -114.75 176.2 5.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.6 m -101.24 130.85 47.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.697 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.333 -0.127 0 CA-C-O 120.852 0.358 . . . . 0.0 110.787 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -104.94 147.02 28.22 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.736 0.303 . . . . 0.0 110.549 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 m -119.43 124.77 73.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -99.86 139.46 35.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.95 0.405 . . . . 0.0 111.419 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.62 144.91 34.16 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.742 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -83.67 -12.53 8.71 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.017 1.811 . . . . 0.0 113.812 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -102.23 -46.85 4.7 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 p -99.84 -16.05 18.19 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m 62.73 18.91 11.03 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -90.24 139.99 30.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -103.22 143.81 32.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.456 . . . . 0.0 111.683 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 p -140.01 138.17 35.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.455 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -57.33 141.01 48.48 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -58.83 6.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -61.36 155.29 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.494 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.0 p -118.38 153.11 34.58 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.482 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.62 -34.49 72.84 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.87 84.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -59.72 -46.65 88.47 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.93 0.395 . . . . 0.0 110.815 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.6 m -60.61 -42.64 97.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 110.471 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.19 -21.93 66.54 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.254 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.07 -26.21 64.43 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.302 -0.249 . . . . 0.0 111.271 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -122.8 37.5 4.39 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 55.58 33.91 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.953 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 mt -109.71 171.19 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.419 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.61 111.62 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.286 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -52.21 138.71 25.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 112.376 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -105.45 114.08 28.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.79 -16.32 27.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -79.78 -57.62 3.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.078 -0.389 . . . . 0.0 112.023 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 t -96.05 -9.31 31.23 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 m 65.18 33.95 8.93 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.993 0.425 . . . . 0.0 110.504 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 169.46 9.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 m -102.53 136.24 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.72 179.801 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 120.794 0.331 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -133.09 176.65 8.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 0.0 111.602 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 m -138.85 129.71 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.798 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -106.03 135.84 46.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.292 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.85 146.11 51.66 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.678 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -85.14 -19.31 3.85 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.977 1.785 . . . . 0.0 113.637 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -105.58 -25.13 12.41 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.5 p -115.44 -22.74 9.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.1 m 60.88 27.03 16.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.533 0.206 . . . . 0.0 111.246 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -90.18 139.51 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.0 m -100.14 137.86 38.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.299 0.571 . . . . 0.0 112.338 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -140.65 141.39 35.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.751 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -60.9 152.04 28.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -49.33 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.032 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.87 148.29 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.907 0.384 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -108.62 155.83 20.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.27 -32.77 71.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.62 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.2 mtt85 -59.55 -49.96 75.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.22 -40.01 94.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.252 0.549 . . . . 0.0 110.262 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -64.51 -19.45 65.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.332 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.21 -21.5 65.18 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.214 -0.304 . . . . 0.0 111.698 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -128.03 31.72 5.04 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 56.94 61.5 2.58 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.253 0.549 . . . . 0.0 111.735 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.3 mt -134.65 -176.9 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.417 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -139.41 105.4 5.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -54.31 123.2 12.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.891 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -90.8 127.92 36.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.757 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.66 -15.23 62.71 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -79.89 -62.88 1.55 Allowed 'General case' 0 N--CA 1.461 0.099 0 O-C-N 122.123 -0.361 . . . . 0.0 111.175 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 t -91.71 -11.13 37.74 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m 65.08 34.85 8.41 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -118.1 173.69 6.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.3 m -100.13 127.52 46.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.331 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 -179.687 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.86 162.71 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.216 0.531 . . . . 0.0 111.725 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.62 138.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.389 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -105.41 138.5 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.061 0.458 . . . . 0.0 112.062 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -91.6 145.08 30.55 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.441 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -85.7 -11.56 6.79 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.173 1.915 . . . . 0.0 114.141 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -100.14 -36.8 9.2 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.5 p -109.07 -18.68 13.6 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.7 m 63.78 17.55 10.56 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.4 155.49 18.91 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 122.263 -0.273 . . . . 0.0 110.295 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.4 m -111.05 141.26 44.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.194 0.521 . . . . 0.0 111.493 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -140.69 140.71 34.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.216 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.1 m -54.99 143.12 27.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 112.083 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -53.58 9.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.873 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -64.43 156.67 28.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.5 p -115.66 155.73 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.087 0.47 . . . . 0.0 111.416 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.17 -33.64 72.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.746 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -58.64 -45.59 88.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.35 -47.22 86.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.75 -44.97 95.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.885 0.374 . . . . 0.0 110.322 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -22.55 65.0 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.314 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -26.3 63.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.291 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -123.55 37.25 4.46 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.164 0.507 . . . . 0.0 109.931 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 55.81 33.3 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.996 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.2 mt -109.48 164.79 12.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -130.02 111.82 12.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -51.38 122.94 8.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.279 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -92.05 126.4 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.978 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.13 -8.3 44.2 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -79.86 -53.95 6.29 Favored 'General case' 0 C--O 1.231 0.127 0 O-C-N 121.976 -0.453 . . . . 0.0 111.129 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.5 t -110.35 2.04 18.82 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.4 m 58.69 30.03 19.4 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 122.063 -0.398 . . . . 0.0 111.446 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -111.94 175.5 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.176 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.7 m -97.2 132.73 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.678 0.275 . . . . 0.0 110.449 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.025 0.441 . . . . 0.0 111.236 -179.578 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -92.2 145.98 24.07 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 m -107.54 133.45 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -99.62 136.43 39.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 111.606 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.14 136.42 27.3 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.21 32.52 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.506 2.137 . . . . 0.0 113.312 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -137.37 -48.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 110.172 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.9 p -108.3 -8.04 15.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.22 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.72 12.9 6.99 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 144.41 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 m -106.11 149.49 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 111.414 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.4 p -139.97 144.92 37.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.587 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -59.72 137.83 57.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.74 -10.24 59.24 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -90.3 167.09 12.93 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.081 -0.387 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -123.47 143.82 49.91 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.085 0.469 . . . . 0.0 111.314 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.53 -32.5 72.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.715 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 m -59.99 -44.77 94.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -60.59 -47.53 85.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -62.9 -46.88 85.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.936 0.398 . . . . 0.0 110.428 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -64.45 -20.55 66.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.664 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.01 67.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.574 0.226 . . . . 0.0 111.135 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -126.07 37.12 4.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 56.35 59.49 3.62 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.64 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.4 mt -140.19 156.65 46.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.56 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -116.86 120.53 38.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.51 120.36 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -90.01 123.06 33.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.652 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -73.12 -6.86 48.47 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -48.4 13.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 122.012 -0.43 . . . . 0.0 110.266 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 t -115.14 -3.11 12.6 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 m 63.13 33.78 14.19 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.914 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -118.08 170.03 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.337 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.9 m -100.65 128.26 46.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.73 0.3 . . . . 0.0 110.473 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.247 -179.624 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -98.39 158.42 15.59 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 m -126.54 127.09 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.941 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -99.84 136.51 39.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.052 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.38 140.28 30.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.11 34.91 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.715 2.277 . . . . 0.0 113.172 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -142.52 -50.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.14 0.495 . . . . 0.0 109.847 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -102.59 -12.71 17.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.162 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.37 15.02 8.37 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -90.42 139.89 30.24 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.197 -0.314 . . . . 0.0 110.316 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.5 m -105.05 143.17 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 p -140.68 142.47 34.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.994 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.9 m -64.34 131.82 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.931 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -47.56 83.22 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.491 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.78 149.1 49.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 111.117 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -113.2 157.02 22.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.15 -33.06 70.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.874 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.6 m -61.15 -45.56 94.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.679 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.8 -51.22 70.48 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.216 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.4 m -61.87 -45.99 91.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -58.11 -21.42 46.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.56 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.9 -23.18 60.82 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -128.03 35.4 4.46 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.014 0.435 . . . . 0.0 110.147 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 57.02 38.94 29.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.713 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -110.22 177.68 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.329 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -139.6 105.11 5.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 111.497 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 tp -50.3 119.26 3.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.265 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -89.94 122.99 33.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.896 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.43 -10.55 45.12 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -79.74 -55.77 4.76 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 121.986 -0.446 . . . . 0.0 111.371 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 t -106.13 1.11 25.99 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m 59.36 29.91 19.54 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 122.01 -0.431 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -112.04 173.31 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -100.05 128.82 46.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 111.017 -179.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -89.21 146.89 24.46 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.137 0.426 . . . . 0.0 110.653 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.93 127.61 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -103.5 131.62 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.171 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.16 145.38 68.92 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -84.31 -14.78 6.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.939 1.759 . . . . 0.0 113.803 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -102.04 -44.43 5.47 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -99.63 -17.15 17.95 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 m 61.59 28.48 17.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.549 0.214 . . . . 0.0 111.263 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -90.52 160.71 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.7 m -122.05 139.52 53.6 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.189 0.518 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -140.51 139.04 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.008 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.1 m -61.49 141.8 57.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.618 0.247 . . . . 0.0 110.759 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -70.77 -7.75 47.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -108.9 161.72 14.87 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.805 -0.559 . . . . 0.0 110.76 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -117.68 150.15 39.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 0.0 111.109 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -61.38 -33.04 73.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 p -60.41 -42.54 96.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -61.92 -47.01 86.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.19 -44.94 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.345 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -61.55 -19.88 62.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.747 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.31 -21.8 50.54 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -133.66 37.49 3.29 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.94 0.4 . . . . 0.0 110.306 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 55.03 65.27 1.54 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.648 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.75 -179.76 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -139.41 113.36 8.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.91 124.05 18.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.0 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -90.27 128.56 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.84 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.45 -15.03 62.32 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -79.63 -60.63 2.28 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.123 -0.36 . . . . 0.0 111.35 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 p -94.32 -12.46 27.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.7 m 64.93 40.45 5.31 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.129 0.49 . . . . 0.0 110.557 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.24 168.34 14.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.4 m -95.3 128.83 42.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.792 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -89.0 143.9 26.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.807 0.337 . . . . 0.0 110.936 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -100.01 134.73 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -99.32 138.67 36.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.79 126.74 48.35 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.61 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.02 38.79 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.029 1.819 . . . . 0.0 114.9 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -148.77 -48.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.984 0.421 . . . . 0.0 109.873 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -100.53 -16.58 17.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.803 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 m 66.2 21.22 11.11 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -90.4 144.61 25.65 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.3 m -100.48 148.61 24.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 111.338 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 m -140.11 132.72 28.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.523 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -57.43 141.23 48.12 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.023 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -58.09 -60.62 3.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.323 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.84 149.72 49.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.152 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -113.66 164.63 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.965 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.49 -34.57 75.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -50.53 73.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -57.01 -49.06 76.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.2 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.42 -45.33 94.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -61.01 -24.12 65.92 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.471 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.67 64.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.717 0.294 . . . . 0.0 111.27 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 36.9 4.53 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.053 0.454 . . . . 0.0 110.1 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.58 34.66 24.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.543 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 mt -112.55 165.43 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.195 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -134.09 114.61 13.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.228 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 tp -50.19 125.66 12.9 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -90.01 131.03 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.49 -19.41 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.57 -56.64 4.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.647 0.261 . . . . 0.0 111.607 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 p -96.85 -5.18 38.87 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.2 m 57.87 28.63 16.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.095 0.407 . . . . 0.0 111.361 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -112.17 178.39 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.146 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.35 133.76 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.287 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.462 0.154 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.146 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.231 0.114 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -90.0 161.74 15.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.466 0.651 . . . . 0.0 112.288 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.1 m -114.52 135.86 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.737 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -99.66 131.28 45.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 111.437 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -82.88 142.4 44.96 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -89.58 36.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.442 2.095 . . . . 0.0 113.618 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -150.13 -49.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.094 0.473 . . . . 0.0 110.032 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.2 p -99.82 -18.16 17.31 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.635 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.3 m 63.13 25.02 14.71 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -90.37 149.7 22.18 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.07 139.42 35.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 p -140.89 134.32 29.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.97 137.14 21.7 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -10.09 59.45 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -94.3 165.32 12.64 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 121.931 -0.481 . . . . 0.0 110.74 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -125.15 148.0 48.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.191 0.519 . . . . 0.0 111.503 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -34.5 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.9 m -57.38 -50.01 74.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -57.8 -48.12 80.63 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.183 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -60.43 -23.45 64.4 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.411 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.47 -29.71 64.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 111.215 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -121.87 40.02 3.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.055 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 54.92 36.45 26.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.272 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.65 153.54 33.13 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.69 0.281 . . . . 0.0 110.298 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.47 123.65 46.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -90.15 126.9 35.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.59 -21.45 62.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -83.1 -56.5 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -91.12 -14.31 31.44 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.7 m 63.93 38.74 8.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 111.082 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -122.71 170.66 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.3 m -105.02 130.86 53.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 -179.736 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.34 157.58 18.68 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.663 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 m -100.2 157.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -139.88 130.54 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 0.0 112.005 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.4 136.58 71.69 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.469 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -88.95 40.85 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.388 2.058 . . . . 0.0 113.302 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -149.57 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.404 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -105.69 -9.27 17.4 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.5 m 62.87 27.78 16.13 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 121.954 -0.466 . . . . 0.0 111.024 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 148.27 23.14 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -115.55 146.89 41.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.144 0.497 . . . . 0.0 111.915 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.1 m -140.04 137.05 34.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.123 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.82 142.52 50.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.297 0.57 . . . . 0.0 111.558 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -65.41 -32.61 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.53 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -104.19 164.68 11.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -120.6 149.48 42.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.226 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.05 -33.39 75.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -57.55 -44.69 85.4 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -62.34 -42.8 99.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.254 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.5 m -62.87 -47.36 83.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.271 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -64.15 -18.08 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.891 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.14 69.16 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.28 . . . . 0.0 111.487 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -127.3 37.28 4.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.028 0.442 . . . . 0.0 110.647 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 54.75 66.66 1.18 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.85 -177.21 4.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -138.03 125.43 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.88 128.99 37.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -91.83 135.34 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.365 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.47 -16.86 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -81.47 -42.25 20.59 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.732 0.301 . . . . 0.0 111.756 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.3 p -111.4 -12.55 14.01 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.8 m 64.51 31.31 12.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -118.23 169.38 9.76 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 m -99.31 137.1 38.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 110.757 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.719 179.84 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.35 152.12 21.69 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.982 -0.449 . . . . 0.0 111.428 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.5 m -101.14 121.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.044 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -99.73 125.84 45.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.409 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.72 142.74 98.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -83.23 -14.99 8.05 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.952 1.768 . . . . 0.0 113.916 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -108.86 -38.04 5.71 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.9 p -106.41 -14.66 15.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 62.68 34.77 14.58 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 148.62 23.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.088 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.18 140.65 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 111.657 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.97 135.56 32.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.634 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 m -64.95 135.58 55.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.08 0.467 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -61.17 -30.9 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.792 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -106.74 166.06 10.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.9 p -122.71 151.17 41.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 111.365 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -46.8 77.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.318 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -61.64 -41.89 98.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.167 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -62.39 -47.74 82.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -20.7 65.95 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.999 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.43 69.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.748 0.308 . . . . 0.0 111.331 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -126.61 38.57 4.09 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 53.74 68.08 0.9 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.235 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -140.15 -178.73 5.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.48 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -139.65 126.89 21.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 tp -74.61 119.08 18.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.994 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -89.71 124.96 35.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.675 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.55 -8.43 41.53 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -79.76 -47.01 15.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.116 0.417 . . . . 0.0 111.359 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 p -114.2 -4.76 13.05 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m 63.14 32.31 15.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.791 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -117.38 170.62 8.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.0 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.5 m -102.71 140.3 37.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.596 0.236 . . . . 0.0 110.746 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.717 179.841 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -88.29 142.66 27.56 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.956 0.408 . . . . 0.0 110.599 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 m -105.89 131.1 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.318 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -99.81 134.34 42.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.415 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.62 136.51 34.8 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.766 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -89.5 32.81 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 122.448 2.098 . . . . 0.0 113.848 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -142.11 -49.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.237 0.541 . . . . 0.0 110.017 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.6 p -103.79 -9.19 19.23 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.248 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m 61.97 15.95 7.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -90.21 143.58 26.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.0 m -103.04 149.94 24.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 111.741 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.2 p -140.11 140.34 36.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.3 m -59.28 139.91 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -11.13 60.74 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.49 165.59 11.17 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 122.034 -0.416 . . . . 0.0 110.479 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.7 p -121.13 146.35 46.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.88 -32.56 70.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.799 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -61.65 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -57.66 -50.48 73.04 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.27 -41.88 97.69 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.234 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.5 -19.61 66.0 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.326 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.42 -26.66 68.61 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.447 -0.158 . . . . 0.0 111.226 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.84 35.22 4.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 56.66 38.96 29.94 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.592 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.5 mt -111.56 172.94 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.515 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -133.97 116.46 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.162 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.41 116.17 3.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -89.82 126.45 35.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -73.37 -2.59 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -42.01 23.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.469 0.577 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 t -127.04 5.41 6.49 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 m 60.27 37.96 20.14 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.281 0.491 . . . . 0.0 111.343 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -117.46 173.22 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.303 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.9 m -107.86 128.72 54.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.782 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.836 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.87 148.25 23.28 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 0.0 111.156 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.9 m -99.78 117.46 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -100.32 123.23 44.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -69.69 139.99 89.06 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -89.91 38.69 0.38 Allowed 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 122.445 2.096 . . . . 0.0 113.47 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -150.4 -48.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.087 0.47 . . . . 0.0 110.161 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -106.06 -13.44 15.46 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.115 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.0 m 63.66 37.98 9.77 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.153 -0.342 . . . . 0.0 111.236 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 142.27 27.92 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 75.8 m -108.91 138.98 44.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.197 0.522 . . . . 0.0 111.444 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -140.26 137.68 34.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.209 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.84 136.41 57.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.403 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.8 -30.5 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.823 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -101.82 165.16 11.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -121.3 149.46 42.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.78 -34.27 77.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 p -56.85 -45.31 82.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.0 -42.13 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 110.145 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.54 -47.96 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.01 -18.87 65.67 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.816 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -28.0 68.78 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.291 -0.256 . . . . 0.0 111.267 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -126.52 37.99 4.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.012 0.434 . . . . 0.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 55.57 59.95 3.6 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.821 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.9 mt -139.78 151.99 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -111.32 130.44 55.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 tp -70.75 124.04 23.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -90.07 127.33 36.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.978 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -72.62 -4.09 28.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -86.36 -43.04 13.17 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.978 -0.451 . . . . 0.0 111.393 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 p -119.66 -3.07 10.35 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.9 m 62.63 31.61 16.7 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.191 0.45 . . . . 0.0 110.994 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -115.49 173.55 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.919 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 m -100.79 138.25 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 0.0 110.791 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.764 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -94.29 143.79 26.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 m -110.66 137.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.468 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -102.79 130.12 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 111.834 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -85.36 135.14 39.2 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.59 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -90.35 31.1 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.526 2.15 . . . . 0.0 113.604 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -135.29 -47.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.811 0.339 . . . . 0.0 110.329 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.0 p -109.59 -6.05 15.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m 62.48 14.27 6.84 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.205 0.457 . . . . 0.0 112.18 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -90.47 140.46 29.71 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -103.06 144.93 30.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.004 0.43 . . . . 0.0 111.357 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 p -140.38 142.77 35.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.727 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.8 m -55.35 138.4 45.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.367 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -23.14 64.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -86.69 163.53 17.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.876 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.1 p -124.3 150.47 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.154 0.502 . . . . 0.0 111.483 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.85 -34.32 74.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.758 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -57.58 -49.48 76.27 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -57.93 -48.22 80.57 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.34 -45.08 94.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.519 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.18 -22.76 66.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -28.74 63.8 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 111.429 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -123.56 41.34 3.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.261 0.553 . . . . 0.0 109.806 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 52.29 38.22 24.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.12 168.93 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.02 122.92 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.37 123.38 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -89.85 127.28 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.77 -17.12 64.43 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -79.99 -60.64 2.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 111.715 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 p -90.73 -12.21 37.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.8 m 63.78 31.96 13.85 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 122.141 -0.349 . . . . 0.0 110.79 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -120.17 174.85 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -102.57 135.88 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.559 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.816 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -88.81 142.66 27.48 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.9 m -104.38 122.42 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -99.85 128.6 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.6 142.7 86.52 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.14 -12.99 10.37 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.016 1.811 . . . . 0.0 113.787 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -104.97 -46.95 4.14 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -99.95 -17.04 17.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.2 m 64.14 33.64 11.72 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -90.62 155.4 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -117.95 137.98 52.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.267 0.556 . . . . 0.0 111.971 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 m -140.2 135.43 32.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.874 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.79 139.58 57.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.783 0.325 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -68.97 -29.97 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -90.32 163.51 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -120.29 149.06 42.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 111.314 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.86 -31.66 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.698 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -60.25 -43.44 96.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.14 -46.04 90.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -62.38 -46.73 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.367 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -66.25 -18.35 65.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.819 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -27.17 69.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.591 0.234 . . . . 0.0 111.293 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -125.7 36.37 4.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 56.57 56.94 5.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.9 mt -140.02 150.57 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.534 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.52 129.73 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.203 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -69.95 133.28 47.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -95.59 132.49 40.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.559 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -78.17 -17.23 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.85 -43.43 22.35 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 t -113.73 -10.47 13.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.4 m 65.54 33.34 8.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.089 -0.382 . . . . 0.0 110.814 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -118.2 168.17 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.037 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.4 m -98.94 141.63 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.752 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 152.83 21.27 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 m -100.03 138.7 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.929 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -99.32 134.86 41.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.24 142.06 35.44 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -89.54 33.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.448 2.098 . . . . 0.0 113.778 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -146.86 -49.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.095 0.474 . . . . 0.0 110.09 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -100.15 -18.73 16.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.58 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m 63.9 26.11 14.15 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -90.45 147.97 23.07 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.1 m -99.64 142.39 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 p -141.28 137.67 32.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.701 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.58 138.15 57.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -68.14 -53.2 26.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.402 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -58.43 161.33 4.53 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.72 0.295 . . . . 0.0 111.37 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.7 p -121.12 153.86 36.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 111.767 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.08 -33.18 68.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.01 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -60.64 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.849 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -51.68 66.84 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.539 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.5 m -60.65 -44.31 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.455 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -64.09 -22.43 66.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.483 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.68 -29.17 67.89 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.719 0.295 . . . . 0.0 111.083 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -120.62 36.31 4.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.968 0.414 . . . . 0.0 110.555 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 53.21 65.56 1.48 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.17 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -140.61 -178.69 5.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.47 107.18 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tp -55.26 130.96 44.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.051 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -96.12 111.79 23.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -16.14 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -79.39 -50.46 10.8 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.8 p -103.54 -9.64 19.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.53 29.9 5.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.23 -0.294 . . . . 0.0 110.957 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -114.46 162.78 16.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.3 m -92.53 138.3 31.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.323 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 111.158 -179.802 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.4 mt . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 112.567 0.581 . . . . 0.0 112.567 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -91.36 154.31 19.29 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 122.047 -0.408 . . . . 0.0 111.126 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.37 118.74 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -100.51 133.26 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 111.683 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.11 137.39 35.17 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.763 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.26 -4.41 13.12 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.919 1.746 . . . . 0.0 113.942 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -98.96 -50.32 4.23 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 117.799 0.272 . . . . 0.0 111.356 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -100.26 -11.04 20.7 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.8 m 61.75 26.88 16.4 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 117.887 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.96 178.27 6.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -140.25 139.22 35.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 m -140.42 135.97 32.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.73 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m -58.78 141.03 54.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.787 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -71.76 -23.83 61.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -88.76 163.67 15.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.714 0.292 . . . . 0.0 111.091 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 p -123.32 152.86 41.02 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 111.489 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.1 -33.87 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.762 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.5 m -58.41 -47.68 83.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -60.31 -46.84 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.0 m -63.22 -46.34 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -64.1 -18.97 64.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.835 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.75 65.7 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -128.8 38.62 3.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.138 0.494 . . . . 0.0 110.464 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 55.46 59.57 3.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.779 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.0 mt -139.58 153.93 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.539 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -114.2 125.74 54.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.05 121.74 16.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -89.98 125.69 35.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.755 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.65 -10.75 59.48 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -79.91 -53.38 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 122.019 -0.425 . . . . 0.0 111.361 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -104.24 -8.58 19.23 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.6 m 63.84 36.52 10.31 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -124.09 172.02 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.263 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.1 m -99.27 138.57 36.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.785 0.326 . . . . 0.0 110.794 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.648 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -88.92 162.11 16.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.158 0.504 . . . . 0.0 111.784 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.7 m -118.81 136.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.384 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.96 125.07 45.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 0.0 111.598 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.4 138.12 51.86 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.621 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -91.72 25.1 0.49 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 122.712 2.274 . . . . 0.0 113.053 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -121.21 -36.71 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 p -138.44 10.62 2.74 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m 54.63 25.38 6.32 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.093 -0.379 . . . . 0.0 111.819 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -90.32 145.54 24.89 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.96 144.68 31.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.165 0.507 . . . . 0.0 111.395 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.2 t -140.35 142.51 35.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.641 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.34 138.21 58.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.647 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -63.26 -29.49 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.253 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -96.6 163.36 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -119.58 155.49 32.13 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 111.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.774 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -44.8 89.2 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -62.07 -45.07 95.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.447 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.3 m -62.08 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -65.79 -18.44 65.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.97 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.72 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.548 0.213 . . . . 0.0 111.426 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -129.01 39.3 3.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.98 0.419 . . . . 0.0 110.456 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 55.37 59.3 4.01 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.888 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 mt -140.07 152.94 46.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -115.21 128.47 56.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 tp -70.48 121.53 17.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.78 126.82 35.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.92 -9.5 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -79.62 -54.43 5.89 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 121.953 -0.467 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -101.97 -8.51 21.46 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m 62.21 36.42 14.92 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -125.39 175.58 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.049 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.3 m -100.0 143.86 29.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.675 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.993 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.886 0.375 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -94.23 -25.5 17.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.564 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -160.2 -71.95 0.07 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.906 0.384 . . . . 0.0 111.011 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 68.09 79.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.72 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -149.44 83.02 6.63 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.412 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.5 133.24 44.69 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.974 1.783 . . . . 0.0 112.886 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 55.6 m -113.3 137.99 50.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.232 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.69 141.44 27.47 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.611 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -49.57 143.45 21.54 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 122.178 1.919 . . . . 0.0 112.715 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.8 m -91.73 -71.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.131 0.491 . . . . 0.0 110.708 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -90.55 -159.16 0.59 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.542 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -125.04 -70.82 0.73 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -100.2 -50.49 3.94 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -94.96 58.72 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.406 0.622 . . . . 0.0 109.886 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -89.42 -16.53 30.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.827 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -59.92 -26.2 65.75 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.235 -0.291 . . . . 0.0 111.681 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.18 -13.68 61.61 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -93.84 166.16 12.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.451 0.643 . . . . 0.0 112.133 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 m -128.49 127.88 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.787 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -109.56 139.0 45.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.633 0.73 . . . . 0.0 112.298 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.41 142.55 24.99 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.504 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.16 -2.31 11.62 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.059 1.839 . . . . 0.0 114.166 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.65 -43.0 5.72 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 122.142 -0.349 . . . . 0.0 111.454 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 p -102.23 -18.49 15.47 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.0 m 63.94 17.94 10.88 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.288 0.368 . . . . 0.0 111.852 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -90.12 173.57 8.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.0 m -129.48 148.65 51.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.263 0.554 . . . . 0.0 112.043 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -140.27 136.1 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.492 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.5 m -59.51 150.79 25.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.99 0.424 . . . . 0.0 111.68 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -74.08 -57.92 3.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.666 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -63.91 151.18 43.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.662 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 163.03 15.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.14 -33.25 71.9 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 m -59.97 -44.96 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -60.05 -49.32 78.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.6 m -61.81 -45.94 91.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -20.66 62.9 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.754 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.58 -24.38 60.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -128.61 37.93 4.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 110.334 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 56.84 58.35 4.12 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.7 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.8 mt -138.98 168.68 19.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -132.77 115.32 15.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.285 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 tp -58.65 127.75 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.272 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -97.46 130.34 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.05 -2.74 32.21 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -79.88 -49.86 11.33 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.468 0.577 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 t -117.53 -3.11 11.38 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m 64.95 55.52 1.16 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -139.89 166.47 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.99 140.97 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -138.67 160.56 39.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.45 111.63 64.01 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.48 -47.04 1.63 Allowed 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.768 1.645 . . . . 0.0 112.36 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.65 -69.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.728 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.78 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 61.61 176.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.038 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -57.15 -21.99 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.168 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -99.36 161.26 13.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.754 0.311 . . . . 0.0 110.96 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -141.78 74.26 22.73 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -87.97 -170.75 0.58 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.226 1.951 . . . . 0.0 112.748 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -124.77 162.91 23.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.379 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.92 143.26 16.43 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.488 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -45.43 172.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.81 2.34 . . . . 0.0 113.297 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.7 m -90.31 -82.83 0.27 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.418 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -90.34 -166.12 1.51 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.606 0.241 . . . . 0.0 110.932 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -108.66 -38.08 5.74 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -127.76 -59.4 1.2 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.779 0.323 . . . . 0.0 111.184 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 mtt85 -90.6 59.22 4.18 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.349 0.595 . . . . 0.0 109.525 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -90.75 -21.27 21.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.399 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.446 ' CD2' ' CD2' ' A' ' 17' ' ' LEU . 25.1 p-80 -57.22 -19.96 24.2 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' CD2' ' CD2' ' A' ' 16' ' ' HIS . 4.0 mm? -77.34 -16.68 58.78 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 11' ' ' SER . 35.3 m-85 -89.89 173.04 8.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.402 0.62 . . . . 0.0 111.802 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.99 125.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.479 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.78 133.02 44.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 111.616 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.92 144.32 85.22 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.555 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.32 -16.22 10.95 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.878 1.719 . . . . 0.0 113.625 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -106.7 -38.43 6.12 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.5 p -99.88 -24.4 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m 63.03 26.61 15.54 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.445 0.164 . . . . 0.0 111.383 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 142.82 27.36 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.5 m -99.86 134.45 42.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.353 0.597 . . . . 0.0 111.836 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.9 t -140.81 140.1 34.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.861 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.85 149.59 43.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.77 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -68.6 -58.51 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -70.15 145.23 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.481 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 p -107.91 164.49 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -35.75 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -57.9 -47.6 82.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -58.52 -48.81 79.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.4 m -59.71 -43.29 94.19 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.578 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -62.96 -23.0 67.21 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.51 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.63 64.73 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 111.17 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -122.91 36.36 4.66 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.158 0.504 . . . . 0.0 110.064 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 58.87 41.53 21.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.417 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.04 162.8 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -133.54 120.9 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.2 tp -51.34 121.04 5.66 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -89.86 126.68 35.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.448 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.27 -6.22 33.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -79.61 -54.29 6.03 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.562 0.619 . . . . 0.0 110.694 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.1 t -111.31 8.82 21.54 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m 55.37 26.15 8.41 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.085 0.402 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -110.77 -177.88 3.34 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.571 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.92 135.75 40.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -136.0 165.72 25.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -93.49 108.73 35.97 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.773 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.1 148.89 45.36 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 121.739 1.626 . . . . 0.0 112.809 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 ptt85 -159.83 -48.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.76 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -97.8 138.15 35.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -61.83 146.22 50.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -121.69 -177.82 3.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.19 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -90.29 113.68 58.29 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -91.47 27.89 0.4 Allowed 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.327 2.018 . . . . 0.0 113.36 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.2 m -117.54 153.68 32.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.744 0.307 . . . . 0.0 110.638 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.67 177.06 51.26 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.811 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.61 174.85 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 122.146 1.897 . . . . 0.0 112.493 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.0 m -90.1 -79.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.779 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.409 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 42.9 t -90.25 -170.95 2.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.672 0.272 . . . . 0.0 110.457 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -131.3 40.74 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.974 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -141.76 -71.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -158.46 45.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.16 140.74 0.75 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -161.16 -46.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.452 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.0 22.72 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.683 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 11' ' ' SER . 5.2 m-85 -96.72 145.29 25.93 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.6 m -106.17 130.27 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -100.23 136.46 40.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.676 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.43 134.85 28.82 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -89.68 39.4 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.386 2.057 . . . . 0.0 113.568 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -148.82 -49.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.233 0.54 . . . . 0.0 110.133 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 p -101.16 -12.78 18.49 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.035 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 64.3 11.96 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 145.2 25.08 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -113.22 148.84 34.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.14 0.495 . . . . 0.0 111.468 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 m -140.33 144.78 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.7 m -57.89 139.65 53.76 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -61.93 -57.58 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.92 154.95 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.335 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -118.1 154.97 31.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.298 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.64 -35.38 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.954 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -57.61 -47.91 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -58.49 -46.81 85.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -61.27 -45.77 93.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.733 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -59.17 -23.25 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.609 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.09 52.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.71 0.291 . . . . 0.0 111.649 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -126.75 38.94 4.02 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 110.159 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 56.91 38.55 29.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.685 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.2 mt -119.36 161.87 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.316 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.16 120.03 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.967 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.3 tp -50.74 135.97 22.71 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -97.14 130.01 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.099 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.95 -22.5 61.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 mtt85 -79.84 -56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.1 t -95.63 -8.36 35.08 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 m 61.43 30.94 19.14 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.043 -0.41 . . . . 0.0 110.986 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -114.75 176.2 5.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.6 m -101.24 130.85 47.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.697 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -125.19 179.38 5.09 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.852 0.358 . . . . 0.0 110.787 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 99.15 35.4 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -85.48 -75.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 121.795 1.663 . . . . 0.0 112.831 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -154.53 -140.42 0.09 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 CA-C-N 119.26 0.937 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 60.72 -166.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 58.72 73.61 0.47 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.198 0.523 . . . . 0.0 111.163 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -141.21 33.98 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -149.86 85.17 5.67 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.18 -176.85 2.25 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.163 1.909 . . . . 0.0 113.036 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 m -148.93 173.64 13.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.036 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.58 -171.69 25.71 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.925 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -82.72 142.45 11.41 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.234 1.956 . . . . 0.0 112.807 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 m -90.79 -50.51 5.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.614 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 p -78.12 170.17 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.156 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.91 -61.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 175.83 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.773 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -67.84 83.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HB2' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -41.52 176.55 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -178.232 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -153.68 -48.14 0.09 Allowed 'General case' 0 C--O 1.231 0.083 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.222 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.63 23.38 5.4 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.663 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 18.4 m-85 -104.94 147.02 28.22 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.736 0.303 . . . . 0.0 110.549 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 m -119.43 124.77 73.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -99.86 139.46 35.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.95 0.405 . . . . 0.0 111.419 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.62 144.91 34.16 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.742 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -83.67 -12.53 8.71 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.017 1.811 . . . . 0.0 113.812 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -102.23 -46.85 4.7 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 p -99.84 -16.05 18.19 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m 62.73 18.91 11.03 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -90.24 139.99 30.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -103.22 143.81 32.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.456 . . . . 0.0 111.683 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 p -140.01 138.17 35.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.455 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -57.33 141.01 48.48 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -58.83 6.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -61.36 155.29 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.494 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.0 p -118.38 153.11 34.58 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.482 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.62 -34.49 72.84 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.87 84.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -59.72 -46.65 88.47 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.93 0.395 . . . . 0.0 110.815 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.6 m -60.61 -42.64 97.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 110.471 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.19 -21.93 66.54 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.254 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.07 -26.21 64.43 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.302 -0.249 . . . . 0.0 111.271 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -122.8 37.5 4.39 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 55.58 33.91 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.953 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 mt -109.71 171.19 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.419 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.61 111.62 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.286 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -52.21 138.71 25.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 112.376 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -105.45 114.08 28.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.79 -16.32 27.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -79.78 -57.62 3.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.078 -0.389 . . . . 0.0 112.023 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 t -96.05 -9.31 31.23 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 m 65.18 33.95 8.93 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.993 0.425 . . . . 0.0 110.504 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 169.46 9.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 m -102.53 136.24 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.83 145.56 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.49 111.19 29.96 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -58.04 -64.92 0.1 Allowed 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.687 1.591 . . . . 0.0 111.637 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.14 -92.12 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.775 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 . . . . . 0 C--N 1.338 0.107 0 O-C-N 121.884 -0.51 . . . . 0.0 110.887 179.715 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.832 0.348 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -89.56 -159.57 0.6 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.441 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.19 -31.66 38.75 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.561 0.22 . . . . 0.0 111.298 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 64.98 112.39 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.053 0.454 . . . . 0.0 110.768 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -150.21 85.63 5.4 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -85.62 -167.91 0.44 Allowed 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.185 1.924 . . . . 0.0 112.903 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.9 m -143.67 146.92 33.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.46 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.81 150.1 27.58 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 120.999 -0.62 . . . . 0.0 114.114 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -47.97 178.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 122.957 2.438 . . . . 0.0 113.108 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.08 -93.65 0.12 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.751 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -91.57 -169.64 2.36 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 121.793 -0.567 . . . . 0.0 111.359 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -141.82 32.17 1.61 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.396 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.49 -43.69 0.12 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.612 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.0 mmt-85 -152.61 60.58 0.81 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 45.1 pttt -84.01 -19.3 34.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.845 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -53.32 -22.92 8.0 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.08 44.7 1.05 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.794 0.331 . . . . 0.0 111.468 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 15' ' ' LYS . 44.8 m-85 -133.09 176.65 8.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 0.0 111.602 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 m -138.85 129.71 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.798 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -106.03 135.84 46.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.292 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.85 146.11 51.66 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.678 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -85.14 -19.31 3.85 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.977 1.785 . . . . 0.0 113.637 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -105.58 -25.13 12.41 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.5 p -115.44 -22.74 9.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.1 m 60.88 27.03 16.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.533 0.206 . . . . 0.0 111.246 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -90.18 139.51 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.0 m -100.14 137.86 38.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.299 0.571 . . . . 0.0 112.338 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.0 t -140.65 141.39 35.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.751 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -60.9 152.04 28.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -49.33 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.032 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.87 148.29 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.907 0.384 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -108.62 155.83 20.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.27 -32.77 71.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.62 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.2 mtt85 -59.55 -49.96 75.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.22 -40.01 94.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.252 0.549 . . . . 0.0 110.262 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -64.51 -19.45 65.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.332 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.21 -21.5 65.18 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.214 -0.304 . . . . 0.0 111.698 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -128.03 31.72 5.04 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 56.94 61.5 2.58 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.253 0.549 . . . . 0.0 111.735 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.3 mt -134.65 -176.9 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.417 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -139.41 105.4 5.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -54.31 123.2 12.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.891 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -90.8 127.92 36.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.757 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.66 -15.23 62.71 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -79.89 -62.88 1.55 Allowed 'General case' 0 N--CA 1.461 0.099 0 O-C-N 122.123 -0.361 . . . . 0.0 111.175 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 t -91.71 -11.13 37.74 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m 65.08 34.85 8.41 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -118.1 173.69 6.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.3 m -100.13 127.52 46.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.331 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -114.44 -178.29 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.32 139.89 21.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.717 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.9 103.25 1.16 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.795 1.664 . . . . 0.0 112.413 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -139.16 -54.54 0.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.77 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.764 0.316 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -96.33 -176.28 3.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -128.1 139.72 52.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -93.47 -0.5 56.38 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -149.2 84.75 6.11 Favored Pre-proline 0 CA--C 1.534 0.361 0 O-C-N 121.939 -0.476 . . . . 0.0 111.285 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.78 -171.12 0.82 Allowed 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.171 1.914 . . . . 0.0 112.616 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -113.35 145.6 40.82 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.551 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.15 139.72 14.73 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.687 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -44.84 141.1 6.23 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 122.706 2.271 . . . . 0.0 113.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.9 m -90.37 -64.83 1.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.97 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -90.22 -168.08 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.01 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -110.47 -34.55 6.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.31 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -138.71 -46.9 0.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.697 0.284 . . . . 0.0 111.47 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.47 59.07 2.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.259 0.552 . . . . 0.0 110.494 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -16.54 31.97 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.569 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -70.32 -27.21 64.2 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.205 -0.309 . . . . 0.0 111.273 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.59 -40.23 74.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.86 162.71 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.216 0.531 . . . . 0.0 111.725 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.2 m -106.62 138.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.389 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -105.41 138.5 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.061 0.458 . . . . 0.0 112.062 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -91.6 145.08 30.55 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.441 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -85.7 -11.56 6.79 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.173 1.915 . . . . 0.0 114.141 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -100.14 -36.8 9.2 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.5 p -109.07 -18.68 13.6 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.7 m 63.78 17.55 10.56 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.4 155.49 18.91 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 122.263 -0.273 . . . . 0.0 110.295 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.4 m -111.05 141.26 44.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.194 0.521 . . . . 0.0 111.493 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -140.69 140.71 34.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.216 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.1 m -54.99 143.12 27.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 112.083 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -53.58 9.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.873 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -64.43 156.67 28.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.5 p -115.66 155.73 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.087 0.47 . . . . 0.0 111.416 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.17 -33.64 72.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.746 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -58.64 -45.59 88.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.35 -47.22 86.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.75 -44.97 95.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.885 0.374 . . . . 0.0 110.322 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -22.55 65.0 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.314 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -26.3 63.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.291 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -123.55 37.25 4.46 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.164 0.507 . . . . 0.0 109.931 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 55.81 33.3 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.996 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.2 mt -109.48 164.79 12.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -130.02 111.82 12.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -51.38 122.94 8.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.279 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -92.05 126.4 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.978 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.13 -8.3 44.2 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -79.86 -53.95 6.29 Favored 'General case' 0 C--O 1.231 0.127 0 O-C-N 121.976 -0.453 . . . . 0.0 111.129 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.5 t -110.35 2.04 18.82 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.4 m 58.69 30.03 19.4 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 122.063 -0.398 . . . . 0.0 111.446 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -111.94 175.5 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.176 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.7 m -97.2 132.73 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.678 0.275 . . . . 0.0 110.449 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -99.96 153.49 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.025 0.441 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -103.71 149.68 37.37 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.613 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.99 -49.8 0.37 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.763 1.642 . . . . 0.0 112.39 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.42 -69.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.863 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.847 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.768 0.318 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -159.28 -45.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -157.26 136.4 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.599 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -106.25 120.34 41.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.247 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.74 103.59 54.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -58.15 -156.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.931 1.754 . . . . 0.0 113.163 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 95.3 m -132.06 172.45 12.36 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.934 0.397 . . . . 0.0 111.5 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.59 -169.82 44.56 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.306 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.45 -169.45 0.48 Allowed 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.536 2.157 . . . . 0.0 112.519 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.9 m -88.67 -76.16 0.41 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.267 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -88.48 -76.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.027 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -156.97 -67.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.642 0.258 . . . . 0.0 111.583 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -142.36 -48.44 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.228 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -66.24 -10.34 41.08 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 pptp? -47.7 143.65 3.77 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -165.04 -44.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.594 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt -93.13 17.41 11.0 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.146 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -92.2 145.98 24.07 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 m -107.54 133.45 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -99.62 136.43 39.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 111.606 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.14 136.42 27.3 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.21 32.52 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.506 2.137 . . . . 0.0 113.312 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -137.37 -48.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 110.172 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.9 p -108.3 -8.04 15.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.22 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.72 12.9 6.99 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 144.41 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 m -106.11 149.49 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 111.414 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.4 p -139.97 144.92 37.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.587 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -59.72 137.83 57.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.74 -10.24 59.24 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -90.3 167.09 12.93 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.081 -0.387 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -123.47 143.82 49.91 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.085 0.469 . . . . 0.0 111.314 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.53 -32.5 72.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.715 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 m -59.99 -44.77 94.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -60.59 -47.53 85.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -62.9 -46.88 85.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.936 0.398 . . . . 0.0 110.428 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -64.45 -20.55 66.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.664 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.01 67.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.574 0.226 . . . . 0.0 111.135 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -126.07 37.12 4.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 56.35 59.49 3.62 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.64 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.4 mt -140.19 156.65 46.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.56 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -116.86 120.53 38.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.51 120.36 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -90.01 123.06 33.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.652 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -73.12 -6.86 48.47 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -48.4 13.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 122.012 -0.43 . . . . 0.0 110.266 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 t -115.14 -3.11 12.6 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 m 63.13 33.78 14.19 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.914 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -118.08 170.03 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.337 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.9 m -100.65 128.26 46.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.73 0.3 . . . . 0.0 110.473 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.07 158.36 18.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.247 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 99.22 32.84 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.54 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.86 138.08 16.39 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.918 1.746 . . . . 0.0 112.936 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -148.28 -63.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.4 ttm105 -154.83 35.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 57.64 25.71 12.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.824 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.08 43.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.985 0.422 . . . . 0.0 110.757 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -109.38 92.24 11.27 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.4 125.13 3.84 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.098 1.865 . . . . 0.0 112.85 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.7 m -146.23 173.54 12.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.09 -167.9 42.18 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.864 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.29 -172.53 1.52 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.504 2.136 . . . . 0.0 112.216 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.9 m -90.11 -75.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t -89.96 -74.54 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -162.77 -67.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.199 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -144.37 -49.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.966 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -17.38 52.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.202 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.48 137.13 0.62 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -163.38 -44.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.645 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.55 19.63 6.09 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.091 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -98.39 158.42 15.59 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 m -126.54 127.09 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.941 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -99.84 136.51 39.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.052 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.38 140.28 30.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.11 34.91 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.715 2.277 . . . . 0.0 113.172 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -142.52 -50.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.14 0.495 . . . . 0.0 109.847 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -102.59 -12.71 17.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.162 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.37 15.02 8.37 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -90.42 139.89 30.24 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.197 -0.314 . . . . 0.0 110.316 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.5 m -105.05 143.17 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.7 p -140.68 142.47 34.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.994 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.9 m -64.34 131.82 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.931 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -47.56 83.22 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.491 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.78 149.1 49.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 111.117 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -113.2 157.02 22.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.15 -33.06 70.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.874 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.6 m -61.15 -45.56 94.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.679 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.8 -51.22 70.48 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.216 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.4 m -61.87 -45.99 91.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -58.11 -21.42 46.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.56 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.9 -23.18 60.82 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -128.03 35.4 4.46 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.014 0.435 . . . . 0.0 110.147 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 57.02 38.94 29.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.713 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -110.22 177.68 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.329 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -139.6 105.11 5.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 111.497 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.7 tp -50.3 119.26 3.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.265 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -89.94 122.99 33.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.896 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.43 -10.55 45.12 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -79.74 -55.77 4.76 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 121.986 -0.446 . . . . 0.0 111.371 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 t -106.13 1.11 25.99 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m 59.36 29.91 19.54 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 122.01 -0.431 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 mtp85 -112.04 173.31 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -100.05 128.82 46.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -108.38 164.39 12.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.59 136.89 25.68 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.724 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.32 -173.28 1.08 Allowed 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.819 1.68 . . . . 0.0 112.527 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -98.26 89.27 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.82 -63.41 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -66.74 -75.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -164.93 121.3 1.46 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.816 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -124.44 110.8 28.27 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.251 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.26 -148.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.939 1.76 . . . . 0.0 112.116 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -115.04 159.05 21.27 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 122.029 -0.419 . . . . 0.0 110.562 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.84 156.45 25.49 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.357 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.43 -175.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.27 0 C-N-CA 122.526 2.151 . . . . 0.0 112.766 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.5 m -89.98 -77.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.604 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 t -89.97 -64.67 1.1 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.405 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -158.54 -94.98 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 119.695 -0.193 . . . . 0.0 111.236 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.56 68.34 0.96 Allowed 'General case' 0 C--N 1.345 0.389 0 CA-C-N 118.502 0.592 . . . . 0.0 109.674 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 178.43 -37.13 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.921 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 3.3 mptp? -60.77 62.63 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -66.58 -21.78 66.14 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.649 -0.657 . . . . 0.0 111.32 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.48 -12.49 32.17 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 22.5 m-85 -89.21 146.89 24.46 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.137 0.426 . . . . 0.0 110.653 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.93 127.61 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -103.5 131.62 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.171 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.16 145.38 68.92 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -84.31 -14.78 6.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.939 1.759 . . . . 0.0 113.803 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -102.04 -44.43 5.47 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -99.63 -17.15 17.95 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 m 61.59 28.48 17.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.549 0.214 . . . . 0.0 111.263 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -90.52 160.71 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.7 m -122.05 139.52 53.6 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.189 0.518 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -140.51 139.04 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.008 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.1 m -61.49 141.8 57.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.618 0.247 . . . . 0.0 110.759 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -70.77 -7.75 47.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -108.9 161.72 14.87 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.805 -0.559 . . . . 0.0 110.76 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -117.68 150.15 39.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 0.0 111.109 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -61.38 -33.04 73.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 p -60.41 -42.54 96.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -61.92 -47.01 86.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.19 -44.94 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.345 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -61.55 -19.88 62.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.747 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.31 -21.8 50.54 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -133.66 37.49 3.29 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.94 0.4 . . . . 0.0 110.306 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 55.03 65.27 1.54 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.648 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.75 -179.76 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -139.41 113.36 8.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.91 124.05 18.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.0 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -90.27 128.56 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.84 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.45 -15.03 62.32 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -79.63 -60.63 2.28 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.123 -0.36 . . . . 0.0 111.35 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 p -94.32 -12.46 27.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.7 m 64.93 40.45 5.31 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.129 0.49 . . . . 0.0 110.557 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.24 168.34 14.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.4 m -95.3 128.83 42.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.792 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -136.7 168.25 19.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -84.99 121.3 74.21 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.33 -24.11 14.67 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 121.814 1.676 . . . . 0.0 112.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -65.86 78.52 0.08 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.962 0.41 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.804 179.823 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.817 0.342 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.36 149.66 24.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.8 -176.5 5.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.596 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 63.81 46.59 3.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.235 0.54 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -89.76 139.41 27.77 Favored Pre-proline 0 N--CA 1.452 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -95.55 -164.35 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.094 1.862 . . . . 0.0 113.353 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -147.23 179.34 7.71 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.885 0.374 . . . . 0.0 111.524 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.77 -177.01 25.86 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.22 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.0 154.67 11.24 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 122.279 1.986 . . . . 0.0 113.105 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 m -91.13 -54.92 3.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.878 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.9 t -90.81 20.48 4.73 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.207 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 77.54 -53.61 0.53 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -89.31 -168.42 2.16 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.825 0.345 . . . . 0.0 111.727 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -80.88 61.41 4.49 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.41 0.624 . . . . 0.0 110.791 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -64.01 92.92 0.08 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 122.697 1.237 . . . . 0.0 111.549 -179.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -77.21 -35.47 55.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.331 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.35 -23.01 21.81 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 14.7 m-85 -89.0 143.9 26.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.807 0.337 . . . . 0.0 110.936 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -100.01 134.73 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -99.32 138.67 36.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.79 126.74 48.35 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.61 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.02 38.79 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.029 1.819 . . . . 0.0 114.9 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -148.77 -48.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.984 0.421 . . . . 0.0 109.873 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -100.53 -16.58 17.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.803 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 m 66.2 21.22 11.11 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -90.4 144.61 25.65 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.3 m -100.48 148.61 24.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 111.338 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 m -140.11 132.72 28.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.523 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -57.43 141.23 48.12 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.023 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -58.09 -60.62 3.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.323 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.84 149.72 49.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.152 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -113.66 164.63 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.965 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.49 -34.57 75.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -50.53 73.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -57.01 -49.06 76.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.2 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.42 -45.33 94.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -61.01 -24.12 65.92 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.471 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.67 64.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.717 0.294 . . . . 0.0 111.27 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 36.9 4.53 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.053 0.454 . . . . 0.0 110.1 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.58 34.66 24.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.543 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 mt -112.55 165.43 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.195 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -134.09 114.61 13.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.228 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 tp -50.19 125.66 12.9 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -90.01 131.03 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.49 -19.41 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.57 -56.64 4.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.647 0.261 . . . . 0.0 111.607 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 p -96.85 -5.18 38.87 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.2 m 57.87 28.63 16.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.095 0.407 . . . . 0.0 111.361 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -112.17 178.39 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.146 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.35 133.76 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.287 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.53 147.14 46.19 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.57 106.55 30.57 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.671 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.39 -45.87 0.24 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.762 1.642 . . . . 0.0 113.107 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -73.65 66.37 1.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.221 0.534 . . . . 0.0 110.997 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.819 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.899 0.381 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -145.07 153.13 41.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 62.08 -157.27 0.33 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.007 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -173.5 16.32 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -151.65 162.5 26.52 Favored Pre-proline 0 N--CA 1.455 -0.193 0 CA-C-N 119.601 1.091 . . . . 0.0 109.252 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.9 4.02 6.86 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 121.654 1.569 . . . . 0.0 113.457 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.5 m -149.07 172.17 15.22 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 122.209 -0.307 . . . . 0.0 110.802 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.43 -170.27 25.76 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.721 -0.752 . . . . 0.0 113.083 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.4 156.44 6.63 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.673 2.248 . . . . 0.0 112.229 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m -90.27 -61.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.576 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 t -89.76 -93.14 0.12 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.261 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.15 -40.39 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.527 0.603 . . . . 0.0 111.344 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -144.83 12.89 1.47 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 54.5 mtm180 -138.21 55.7 1.75 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.503 0.668 . . . . 0.0 109.896 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -19.93 23.35 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.367 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -62.75 -19.06 63.59 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt -85.64 -30.63 23.08 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 5.0 m-85 -90.0 161.74 15.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.466 0.651 . . . . 0.0 112.288 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.1 m -114.52 135.86 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.737 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -99.66 131.28 45.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 111.437 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -82.88 142.4 44.96 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -89.58 36.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.442 2.095 . . . . 0.0 113.618 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -150.13 -49.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.094 0.473 . . . . 0.0 110.032 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.2 p -99.82 -18.16 17.31 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.635 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.3 m 63.13 25.02 14.71 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -90.37 149.7 22.18 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.07 139.42 35.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 p -140.89 134.32 29.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.97 137.14 21.7 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -10.09 59.45 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -94.3 165.32 12.64 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 121.931 -0.481 . . . . 0.0 110.74 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -125.15 148.0 48.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.191 0.519 . . . . 0.0 111.503 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -34.5 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.9 m -57.38 -50.01 74.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -57.8 -48.12 80.63 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.183 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -60.43 -23.45 64.4 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.411 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.47 -29.71 64.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 111.215 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -121.87 40.02 3.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.055 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 54.92 36.45 26.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.272 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.65 153.54 33.13 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.69 0.281 . . . . 0.0 110.298 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.47 123.65 46.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -90.15 126.9 35.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.59 -21.45 62.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -83.1 -56.5 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 t -91.12 -14.31 31.44 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.7 m 63.93 38.74 8.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 111.082 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -122.71 170.66 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.3 m -105.02 130.86 53.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -130.22 154.42 47.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -96.34 138.85 21.51 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.867 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 80.32 1.42 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.845 1.697 . . . . 0.0 112.393 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.9 mtp85 -158.69 109.03 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.784 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -93.84 178.26 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -146.39 149.15 33.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.39 -172.32 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -149.94 94.58 3.77 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -85.35 -168.96 0.54 Allowed 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.092 1.861 . . . . 0.0 112.9 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 55.4 m -113.4 151.34 31.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.396 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.4 -164.02 35.82 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.472 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -86.79 151.96 8.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 122.414 2.076 . . . . 0.0 113.258 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.5 m -90.36 -48.68 6.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 p -59.45 -177.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.67 -35.42 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -129.33 -165.75 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -62.37 85.08 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.546 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 72.5 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -68.84 -41.79 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.53 -0.731 . . . . 0.0 110.547 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.19 -22.12 63.92 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.844 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.34 157.58 18.68 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.663 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.0 m -100.2 157.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -139.88 130.54 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 0.0 112.005 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.4 136.58 71.69 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.469 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -88.95 40.85 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.388 2.058 . . . . 0.0 113.302 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -149.57 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.404 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -105.69 -9.27 17.4 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.5 m 62.87 27.78 16.13 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 121.954 -0.466 . . . . 0.0 111.024 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 148.27 23.14 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -115.55 146.89 41.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.144 0.497 . . . . 0.0 111.915 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.1 m -140.04 137.05 34.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.123 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.82 142.52 50.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.297 0.57 . . . . 0.0 111.558 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -65.41 -32.61 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.53 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -104.19 164.68 11.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -120.6 149.48 42.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.226 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.05 -33.39 75.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -57.55 -44.69 85.4 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -62.34 -42.8 99.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.254 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.5 m -62.87 -47.36 83.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.271 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -64.15 -18.08 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.891 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.14 69.16 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.28 . . . . 0.0 111.487 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -127.3 37.28 4.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.028 0.442 . . . . 0.0 110.647 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 54.75 66.66 1.18 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.85 -177.21 4.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -138.03 125.43 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.88 128.99 37.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -91.83 135.34 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.365 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.47 -16.86 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -81.47 -42.25 20.59 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.732 0.301 . . . . 0.0 111.756 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.3 p -111.4 -12.55 14.01 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.8 m 64.51 31.31 12.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -118.23 169.38 9.76 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 m -99.31 137.1 38.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 110.757 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -117.62 151.31 37.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.719 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -103.81 138.24 19.47 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.06 -168.46 0.38 Allowed 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.884 1.723 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -93.31 -55.55 3.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -67.06 91.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.794 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -163.23 -175.15 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.03 121.21 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -149.96 147.25 21.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.37 -0.45 10.21 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.883 1.722 . . . . 0.0 114.329 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.3 m -132.93 150.27 52.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.61 -171.47 24.65 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.367 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.94 160.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 122.482 2.121 . . . . 0.0 113.188 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 90.5 m -89.62 -55.83 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.264 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -85.41 179.35 7.18 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.59 36.69 1.65 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.585 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.94 -75.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.984 0.421 . . . . 0.0 110.23 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -134.58 48.98 2.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.523 0.677 . . . . 0.0 109.186 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -57.75 -16.66 11.86 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.069 -0.969 . . . . 0.0 113.523 -178.331 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -49.77 -25.21 2.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt -82.5 -6.13 59.13 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 15' ' ' LYS . 9.0 m-85 -89.35 152.12 21.69 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.982 -0.449 . . . . 0.0 111.428 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.5 m -101.14 121.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.044 178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -99.73 125.84 45.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.409 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.72 142.74 98.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -83.23 -14.99 8.05 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.952 1.768 . . . . 0.0 113.916 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -108.86 -38.04 5.71 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.9 p -106.41 -14.66 15.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 62.68 34.77 14.58 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 148.62 23.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.088 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.18 140.65 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 111.657 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.97 135.56 32.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.634 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 m -64.95 135.58 55.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.08 0.467 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -61.17 -30.9 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.792 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -106.74 166.06 10.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.9 p -122.71 151.17 41.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 111.365 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -46.8 77.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.318 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -61.64 -41.89 98.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.167 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -62.39 -47.74 82.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -20.7 65.95 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.999 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.43 69.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.748 0.308 . . . . 0.0 111.331 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -126.61 38.57 4.09 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 53.74 68.08 0.9 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.235 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -140.15 -178.73 5.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.48 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -139.65 126.89 21.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 tp -74.61 119.08 18.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.994 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -89.71 124.96 35.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.675 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.55 -8.43 41.53 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -79.76 -47.01 15.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.116 0.417 . . . . 0.0 111.359 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 p -114.2 -4.76 13.05 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m 63.14 32.31 15.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.791 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -117.38 170.62 8.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.0 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.5 m -102.71 140.3 37.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.596 0.236 . . . . 0.0 110.746 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -122.89 164.2 18.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.717 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -111.96 89.71 12.07 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.68 125.73 5.65 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.009 1.806 . . . . 0.0 112.483 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -147.3 105.37 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.742 0.306 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -155.18 102.94 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.778 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -138.04 32.09 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -173.9 129.52 0.4 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -107.45 99.54 28.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.29 -155.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 121.95 1.766 . . . . 0.0 113.343 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.6 m -113.34 153.67 28.13 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.779 0.323 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.95 -179.64 48.81 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.677 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -83.87 136.22 7.02 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.176 1.917 . . . . 0.0 112.944 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.4 m -91.28 -48.63 6.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.236 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -75.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.572 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -175.31 -85.09 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.794 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -150.63 -59.17 0.18 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.844 0.354 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -30.28 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.485 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 45.6 mmtm -65.73 69.24 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.29 -17.5 56.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.51 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.65 -12.83 25.78 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 21.3 m-85 -88.29 142.66 27.56 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.956 0.408 . . . . 0.0 110.599 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 m -105.89 131.1 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.318 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -99.81 134.34 42.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.415 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.62 136.51 34.8 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.766 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -89.5 32.81 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 122.448 2.098 . . . . 0.0 113.848 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -142.11 -49.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.237 0.541 . . . . 0.0 110.017 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 50.6 p -103.79 -9.19 19.23 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.248 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m 61.97 15.95 7.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -90.21 143.58 26.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.0 m -103.04 149.94 24.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 111.741 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.2 p -140.11 140.34 36.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.3 m -59.28 139.91 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -11.13 60.74 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.49 165.59 11.17 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 122.034 -0.416 . . . . 0.0 110.479 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.7 p -121.13 146.35 46.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.88 -32.56 70.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.799 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -61.65 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -57.66 -50.48 73.04 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.27 -41.88 97.69 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.234 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.5 -19.61 66.0 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.326 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.42 -26.66 68.61 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.447 -0.158 . . . . 0.0 111.226 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.84 35.22 4.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 56.66 38.96 29.94 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.592 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.5 mt -111.56 172.94 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.515 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -133.97 116.46 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.162 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.41 116.17 3.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -89.82 126.45 35.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -73.37 -2.59 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.32 -42.01 23.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.469 0.577 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 t -127.04 5.41 6.49 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 m 60.27 37.96 20.14 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.281 0.491 . . . . 0.0 111.343 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -117.46 173.22 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.303 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.9 m -107.86 128.72 54.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.782 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -99.76 142.68 30.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -112.41 93.45 22.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.154 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -82.55 111.62 2.06 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.012 1.808 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -113.51 95.9 5.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.785 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.808 0.337 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.9 ttt-85 -162.31 99.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -168.54 164.22 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -97.57 -178.13 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -139.42 86.23 14.49 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.74 -170.6 0.82 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.116 1.878 . . . . 0.0 112.819 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.2 m -130.86 150.83 51.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.297 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.2 -165.92 15.58 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.756 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.47 140.14 68.02 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.563 2.176 . . . . 0.0 112.934 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 m -89.51 -65.9 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.81 89.05 4.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.223 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 59.65 -168.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.92 32.31 5.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -124.23 -8.17 7.62 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.95 165.29 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -168.26 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.666 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.78 19.99 6.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.065 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.87 148.25 23.28 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 0.0 111.156 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.9 m -99.78 117.46 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -100.32 123.23 44.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -69.69 139.99 89.06 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -89.91 38.69 0.38 Allowed 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 122.445 2.096 . . . . 0.0 113.47 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -150.4 -48.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.087 0.47 . . . . 0.0 110.161 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -106.06 -13.44 15.46 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.115 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.0 m 63.66 37.98 9.77 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.153 -0.342 . . . . 0.0 111.236 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 142.27 27.92 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 75.8 m -108.91 138.98 44.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.197 0.522 . . . . 0.0 111.444 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -140.26 137.68 34.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.209 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.84 136.41 57.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.403 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.8 -30.5 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.823 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -101.82 165.16 11.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -121.3 149.46 42.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.78 -34.27 77.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 p -56.85 -45.31 82.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.0 -42.13 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 110.145 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.54 -47.96 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.01 -18.87 65.67 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.816 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -28.0 68.78 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.291 -0.256 . . . . 0.0 111.267 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -126.52 37.99 4.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.012 0.434 . . . . 0.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 55.57 59.95 3.6 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.821 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.9 mt -139.78 151.99 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -111.32 130.44 55.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 tp -70.75 124.04 23.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -90.07 127.33 36.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.978 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -72.62 -4.09 28.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -86.36 -43.04 13.17 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.978 -0.451 . . . . 0.0 111.393 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 p -119.66 -3.07 10.35 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.9 m 62.63 31.61 16.7 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.191 0.45 . . . . 0.0 110.994 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -115.49 173.55 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.919 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 m -100.79 138.25 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 0.0 110.791 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -138.77 -176.71 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.764 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.41 135.54 88.69 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.881 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.5 -57.32 0.22 Allowed 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 121.636 1.557 . . . . 0.0 112.505 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -148.3 -49.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.382 . . . . 0.0 110.717 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.796 0.331 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.85 32.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -105.93 -39.13 6.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -126.84 126.36 43.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -127.63 96.44 32.8 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -78.39 144.93 20.77 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.928 1.752 . . . . 0.0 112.405 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 m -117.06 143.89 45.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.612 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.39 170.15 53.22 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.287 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -50.41 173.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.305 2.003 . . . . 0.0 112.845 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.9 m -90.04 -87.67 0.18 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.1 t -90.6 -167.63 1.88 Allowed 'General case' 0 C--O 1.231 0.125 0 O-C-N 122.248 -0.282 . . . . 0.0 110.453 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -142.86 48.75 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.191 0.519 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -146.94 -75.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -141.28 37.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 133.67 9.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -166.83 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.354 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt -88.65 14.13 10.72 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.414 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -94.29 143.79 26.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 m -110.66 137.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.468 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -102.79 130.12 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 111.834 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -85.36 135.14 39.2 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.59 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -90.35 31.1 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.526 2.15 . . . . 0.0 113.604 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -135.29 -47.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.811 0.339 . . . . 0.0 110.329 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.0 p -109.59 -6.05 15.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m 62.48 14.27 6.84 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.205 0.457 . . . . 0.0 112.18 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -90.47 140.46 29.71 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -103.06 144.93 30.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.004 0.43 . . . . 0.0 111.357 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 p -140.38 142.77 35.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.727 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.8 m -55.35 138.4 45.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.367 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -23.14 64.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -86.69 163.53 17.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.876 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.1 p -124.3 150.47 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.154 0.502 . . . . 0.0 111.483 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.85 -34.32 74.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.758 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -57.58 -49.48 76.27 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -57.93 -48.22 80.57 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.34 -45.08 94.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.519 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.18 -22.76 66.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -28.74 63.8 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 111.429 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -123.56 41.34 3.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.261 0.553 . . . . 0.0 109.806 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 52.29 38.22 24.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.12 168.93 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.02 122.92 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.37 123.38 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -89.85 127.28 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.77 -17.12 64.43 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -79.99 -60.64 2.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 111.715 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 p -90.73 -12.21 37.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.8 m 63.78 31.96 13.85 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 122.141 -0.349 . . . . 0.0 110.79 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -120.17 174.85 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -102.57 135.88 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.559 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -122.84 160.02 26.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -91.66 133.51 30.85 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.709 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.61 152.31 53.56 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.794 1.663 . . . . 0.0 112.394 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -161.08 91.5 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.796 0.332 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 60.88 157.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -101.83 -61.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.704 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -93.98 59.18 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.354 0.597 . . . . 0.0 110.637 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -150.19 87.22 5.01 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -56.74 179.28 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 121.872 1.715 . . . . 0.0 112.232 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -126.56 150.82 48.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.54 142.45 16.04 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.448 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.15 153.33 0.52 Allowed 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 122.828 2.352 . . . . 0.0 113.51 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -90.54 -57.17 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.784 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -78.44 -69.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -163.58 -164.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.585 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.81 -31.88 17.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.744 0.307 . . . . 0.0 110.809 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttm105 -87.33 -17.24 32.87 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 9.3 mmtp -68.51 65.18 0.11 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.162 0.506 . . . . 0.0 111.932 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -66.77 -25.27 66.4 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.71 -20.37 14.18 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 12.6 m-85 -88.81 142.66 27.48 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.9 m -104.38 122.42 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -99.85 128.6 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.6 142.7 86.52 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.14 -12.99 10.37 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.016 1.811 . . . . 0.0 113.787 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -104.97 -46.95 4.14 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -99.95 -17.04 17.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.2 m 64.14 33.64 11.72 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -90.62 155.4 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -117.95 137.98 52.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.267 0.556 . . . . 0.0 111.971 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 m -140.2 135.43 32.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.874 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.79 139.58 57.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.783 0.325 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -68.97 -29.97 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -90.32 163.51 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -120.29 149.06 42.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 111.314 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.86 -31.66 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.698 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -60.25 -43.44 96.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.14 -46.04 90.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -62.38 -46.73 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.367 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -66.25 -18.35 65.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.819 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -27.17 69.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.591 0.234 . . . . 0.0 111.293 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -125.7 36.37 4.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 56.57 56.94 5.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.9 mt -140.02 150.57 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.534 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.52 129.73 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.203 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -69.95 133.28 47.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -95.59 132.49 40.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.559 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -78.17 -17.23 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.85 -43.43 22.35 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 t -113.73 -10.47 13.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.4 m 65.54 33.34 8.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.089 -0.382 . . . . 0.0 110.814 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -118.2 168.17 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.037 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.4 m -98.94 141.63 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.752 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -120.98 163.22 18.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -115.97 128.74 25.74 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.568 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.72 -46.33 0.34 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.66 1.573 . . . . 0.0 112.663 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.86 -85.95 0.37 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.138 0 O-C-N 122.328 -0.232 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.756 0.312 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 60.29 30.22 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.51 -158.19 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.765 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 67.14 -152.27 0.2 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -150.36 -176.07 0.54 Allowed Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 118.63 0.65 . . . . 0.0 109.287 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -91.34 28.13 0.4 Allowed 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.128 1.886 . . . . 0.0 113.342 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -162.22 171.43 17.37 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.3 -177.92 37.29 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.57 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.75 152.75 13.19 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.047 1.831 . . . . 0.0 112.96 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.1 m -90.35 -55.72 3.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.461 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.5 t -91.41 37.53 0.95 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.207 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 67.86 -68.2 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.532 0.206 . . . . 0.0 111.508 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -146.26 -44.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -46.13 -27.23 0.91 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 20.2 pttm -37.14 133.45 0.65 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.5 m80 -178.47 -43.82 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.757 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.71 -16.33 57.38 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 152.83 21.27 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 m -100.03 138.7 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.929 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -99.32 134.86 41.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.24 142.06 35.44 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -89.54 33.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.448 2.098 . . . . 0.0 113.778 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -146.86 -49.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.095 0.474 . . . . 0.0 110.09 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -100.15 -18.73 16.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.58 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m 63.9 26.11 14.15 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -90.45 147.97 23.07 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.1 m -99.64 142.39 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 p -141.28 137.67 32.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.701 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.58 138.15 57.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -68.14 -53.2 26.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.402 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -58.43 161.33 4.53 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.72 0.295 . . . . 0.0 111.37 -179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.7 p -121.12 153.86 36.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 111.767 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.08 -33.18 68.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.01 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -60.64 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.849 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -51.68 66.84 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.539 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.5 m -60.65 -44.31 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.455 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -64.09 -22.43 66.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.483 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.68 -29.17 67.89 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.719 0.295 . . . . 0.0 111.083 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -120.62 36.31 4.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.968 0.414 . . . . 0.0 110.555 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 53.21 65.56 1.48 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.17 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.9 mt -140.61 -178.69 5.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.47 107.18 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tp -55.26 130.96 44.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.051 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -96.12 111.79 23.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -16.14 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -79.39 -50.46 10.8 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.8 p -103.54 -9.64 19.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.53 29.9 5.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.23 -0.294 . . . . 0.0 110.957 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -114.46 162.78 16.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.3 m -92.53 138.3 31.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.323 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -114.29 162.94 15.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 111.158 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -64.74 151.55 92.24 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.14 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.97 -168.55 0.64 Allowed 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 122.135 1.89 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.87 89.7 3.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.71 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.9 tpt85 -97.31 -53.92 3.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -170.5 -168.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 62.81 123.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.227 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -93.66 110.77 49.28 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.374 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -87.12 118.41 1.39 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.011 1.807 . . . . 0.0 113.656 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.0 m -108.61 135.01 50.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.736 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.6 131.38 10.75 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.571 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -43.01 142.83 2.08 Favored 'Trans proline' 0 C--N 1.363 1.302 0 C-N-CA 122.78 2.32 . . . . 0.0 113.665 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 m -90.56 -64.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.563 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.2 97.29 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.408 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -91.36 71.6 6.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.182 0.515 . . . . 0.0 111.289 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -150.15 -71.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.225 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -158.82 34.48 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.108 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.59 145.49 0.43 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -166.32 -45.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.064 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.4 mt -85.66 7.43 23.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.567 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -91.36 154.31 19.29 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 122.047 -0.408 . . . . 0.0 111.126 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.37 118.74 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -100.51 133.26 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 111.683 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.11 137.39 35.17 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.763 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.26 -4.41 13.12 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.919 1.746 . . . . 0.0 113.942 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -98.96 -50.32 4.23 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 117.799 0.272 . . . . 0.0 111.356 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -100.26 -11.04 20.7 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.8 m 61.75 26.88 16.4 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 117.887 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.96 178.27 6.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -140.25 139.22 35.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 m -140.42 135.97 32.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.73 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m -58.78 141.03 54.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.787 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -71.76 -23.83 61.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -88.76 163.67 15.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.714 0.292 . . . . 0.0 111.091 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 p -123.32 152.86 41.02 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 111.489 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.1 -33.87 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.762 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.5 m -58.41 -47.68 83.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -60.31 -46.84 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.0 m -63.22 -46.34 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -64.1 -18.97 64.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.835 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.75 65.7 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -128.8 38.62 3.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.138 0.494 . . . . 0.0 110.464 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 55.46 59.57 3.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.779 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.0 mt -139.58 153.93 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.539 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -114.2 125.74 54.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.05 121.74 16.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -89.98 125.69 35.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.755 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.65 -10.75 59.48 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -79.91 -53.38 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 122.019 -0.425 . . . . 0.0 111.361 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -104.24 -8.58 19.23 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.6 m 63.84 36.52 10.31 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -124.09 172.02 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.263 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.1 m -99.27 138.57 36.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.785 0.326 . . . . 0.0 110.794 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -137.83 -177.05 4.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.648 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.89 128.12 44.92 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.732 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.64 148.42 47.21 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.775 1.65 . . . . 0.0 112.35 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -152.37 24.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.625 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.155 0 C-N-CA 121.325 -0.15 . . . . 0.0 110.714 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.757 0.313 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 60.5 34.32 20.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -87.67 -31.87 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -127.15 171.17 11.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.754 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -123.88 87.62 52.8 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.29 176.08 8.41 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.058 1.839 . . . . 0.0 112.624 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.9 m -135.95 154.82 50.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.61 178.28 53.34 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 120.748 -0.739 . . . . 0.0 114.417 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -68.02 -175.18 0.73 Allowed 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.813 2.342 . . . . 0.0 112.871 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.6 m -90.59 -84.76 0.23 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.403 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 33.2 t -90.34 -162.36 0.89 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.448 0.166 . . . . 0.0 110.752 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -132.91 21.83 4.17 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -150.0 -70.52 0.19 Allowed 'General case' 0 CA--C 1.531 0.214 0 O-C-N 122.423 -0.173 . . . . 0.0 110.838 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -110.73 33.41 4.57 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.127 0.489 . . . . 0.0 110.26 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -49.1 -22.88 1.03 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.131 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -50.82 -23.57 2.87 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt -83.45 -9.87 58.73 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 15' ' ' LYS . 22.8 m-85 -88.92 162.11 16.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.158 0.504 . . . . 0.0 111.784 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.7 m -118.81 136.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.384 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.96 125.07 45.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 0.0 111.598 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.4 138.12 51.86 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.621 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -91.72 25.1 0.49 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 122.712 2.274 . . . . 0.0 113.053 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -121.21 -36.71 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 p -138.44 10.62 2.74 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m 54.63 25.38 6.32 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.093 -0.379 . . . . 0.0 111.819 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -90.32 145.54 24.89 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.96 144.68 31.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.165 0.507 . . . . 0.0 111.395 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.2 t -140.35 142.51 35.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.641 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.34 138.21 58.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.647 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -63.26 -29.49 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.253 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -96.6 163.36 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -119.58 155.49 32.13 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 111.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.774 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -44.8 89.2 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -62.07 -45.07 95.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.447 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.3 m -62.08 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -65.79 -18.44 65.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.97 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.72 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.548 0.213 . . . . 0.0 111.426 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -129.01 39.3 3.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.98 0.419 . . . . 0.0 110.456 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 55.37 59.3 4.01 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.888 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 mt -140.07 152.94 46.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -115.21 128.47 56.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.7 tp -70.48 121.53 17.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.78 126.82 35.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.92 -9.5 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -79.62 -54.43 5.89 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 121.953 -0.467 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -101.97 -8.51 21.46 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m 62.21 36.42 14.92 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -125.39 175.58 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.049 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.3 m -100.0 143.86 29.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.675 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -129.35 166.31 19.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.72 98.01 45.99 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.531 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -87.25 -72.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.145 1.897 . . . . 0.0 113.064 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -155.62 -134.87 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 119.038 -0.506 . . . . 0.0 109.778 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.347 0.466 0 CA-C-N 119.647 1.112 . . . . 0.0 110.664 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.1 mm? . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -93.84 166.16 12.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.451 0.643 . . . . 0.0 112.133 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 28' ' ' SER . 4.2 m -128.49 127.88 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.787 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -109.56 139.0 45.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.633 0.73 . . . . 0.0 112.298 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.41 142.55 24.99 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.504 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.16 -2.31 11.62 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.059 1.839 . . . . 0.0 114.166 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.65 -43.0 5.72 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 122.142 -0.349 . . . . 0.0 111.454 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 p -102.23 -18.49 15.47 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.0 m 63.94 17.94 10.88 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.288 0.368 . . . . 0.0 111.852 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -90.12 173.57 8.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.0 m -129.48 148.65 51.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.263 0.554 . . . . 0.0 112.043 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.75 ' O ' HG22 ' A' ' 19' ' ' VAL . 5.0 m -140.27 136.1 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.492 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.5 m -59.51 150.79 25.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.99 0.424 . . . . 0.0 111.68 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -74.08 -57.92 3.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.666 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -63.91 151.18 43.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.662 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 163.03 15.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.14 -33.25 71.9 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 m -59.97 -44.96 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -60.05 -49.32 78.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.6 m -61.81 -45.94 91.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -20.66 62.9 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.754 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.58 -24.38 60.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -128.61 37.93 4.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 110.334 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.489 ' O ' HD23 ' A' ' 41' ' ' LEU . 24.8 mp0 56.84 58.35 4.12 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.7 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 40' ' ' GLN . 48.8 mt -138.98 168.68 19.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -132.77 115.32 15.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.285 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 tp -58.65 127.75 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.272 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -97.46 130.34 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.05 -2.74 32.21 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -79.88 -49.86 11.33 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.468 0.577 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 t -117.53 -3.11 11.38 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m 64.95 55.52 1.16 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -139.89 166.47 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.99 140.97 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.822 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -89.89 173.04 8.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.402 0.62 . . . . 0.0 111.802 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' SER . 4.4 m -139.99 125.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.479 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -99.78 133.02 44.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 111.616 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.92 144.32 85.22 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.555 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.32 -16.22 10.95 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.878 1.719 . . . . 0.0 113.625 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -106.7 -38.43 6.12 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.5 p -99.88 -24.4 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m 63.03 26.61 15.54 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.445 0.164 . . . . 0.0 111.383 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 142.82 27.36 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.5 m -99.86 134.45 42.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.353 0.597 . . . . 0.0 111.836 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.458 ' O ' HG22 ' A' ' 19' ' ' VAL . 40.9 t -140.81 140.1 34.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.861 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.85 149.59 43.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.77 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -68.6 -58.51 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.472 ' O ' HD22 ' A' ' 43' ' ' LEU . 35.0 t-20 -70.15 145.23 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.481 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 p -107.91 164.49 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -35.75 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -57.9 -47.6 82.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -58.52 -48.81 79.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.4 m -59.71 -43.29 94.19 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.578 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -62.96 -23.0 67.21 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.51 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.63 64.73 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 111.17 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -122.91 36.36 4.66 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.158 0.504 . . . . 0.0 110.064 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 58.87 41.53 21.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.417 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.04 162.8 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -133.54 120.9 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 49' ' ' ARG . 59.2 tp -51.34 121.04 5.66 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -89.86 126.68 35.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.448 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.27 -6.22 33.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -79.61 -54.29 6.03 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.562 0.619 . . . . 0.0 110.694 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 49' ' ' ARG . 5.1 t -111.31 8.82 21.54 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m 55.37 26.15 8.41 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.085 0.402 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 43' ' ' LEU . 12.1 mmm180 -110.77 -177.88 3.34 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.571 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.92 135.75 40.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.6 mm? . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -96.72 145.29 25.93 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 28' ' ' SER . 6.6 m -106.17 130.27 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -100.23 136.46 40.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.676 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.43 134.85 28.82 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -89.68 39.4 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.386 2.057 . . . . 0.0 113.568 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -148.82 -49.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.233 0.54 . . . . 0.0 110.133 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 p -101.16 -12.78 18.49 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.035 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 64.3 11.96 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 145.2 25.08 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -113.22 148.84 34.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.14 0.495 . . . . 0.0 111.468 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' HG22 ' A' ' 19' ' ' VAL . 26.7 m -140.33 144.78 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.7 m -57.89 139.65 53.76 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -61.93 -57.58 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' HB3' HD13 ' A' ' 43' ' ' LEU . 11.0 t-20 -60.92 154.95 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -118.1 154.97 31.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.298 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.64 -35.38 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.954 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -57.61 -47.91 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -58.49 -46.81 85.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -61.27 -45.77 93.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.733 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -59.17 -23.25 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.609 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.09 52.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.71 0.291 . . . . 0.0 111.649 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -126.75 38.94 4.02 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 110.159 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 56.91 38.55 29.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.685 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.2 mt -119.36 161.87 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.316 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.16 120.03 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.967 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 31' ' ' ASN . 66.3 tp -50.74 135.97 22.71 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.627 ' OD1' HG22 ' A' ' 47' ' ' THR . 25.2 t-20 -97.14 130.01 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.099 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.95 -22.5 61.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 mtt85 -79.84 -56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.627 HG22 ' OD1' ' A' ' 44' ' ' ASN . 5.1 t -95.63 -8.36 35.08 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 m 61.43 30.94 19.14 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.043 -0.41 . . . . 0.0 110.986 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -114.75 176.2 5.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.6 m -101.24 130.85 47.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.697 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.333 -0.127 0 CA-C-O 120.852 0.358 . . . . 0.0 110.787 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.0 mp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -104.94 147.02 28.22 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.736 0.303 . . . . 0.0 110.549 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 28' ' ' SER . 4.4 m -119.43 124.77 73.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -99.86 139.46 35.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.95 0.405 . . . . 0.0 111.419 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.62 144.91 34.16 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.742 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -83.67 -12.53 8.71 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.017 1.811 . . . . 0.0 113.812 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -102.23 -46.85 4.7 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 p -99.84 -16.05 18.19 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m 62.73 18.91 11.03 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -90.24 139.99 30.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -103.22 143.81 32.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.456 . . . . 0.0 111.683 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 19' ' ' VAL . 5.2 p -140.01 138.17 35.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.455 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -57.33 141.01 48.48 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -58.83 6.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -61.36 155.29 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.494 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.0 p -118.38 153.11 34.58 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.482 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.62 -34.49 72.84 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.87 84.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -59.72 -46.65 88.47 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.93 0.395 . . . . 0.0 110.815 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.6 m -60.61 -42.64 97.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 110.471 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.19 -21.93 66.54 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.254 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.07 -26.21 64.43 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.302 -0.249 . . . . 0.0 111.271 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -122.8 37.5 4.39 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 55.58 33.91 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.953 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 mt -109.71 171.19 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.419 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.61 111.62 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.286 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -52.21 138.71 25.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 112.376 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -105.45 114.08 28.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.79 -16.32 27.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -79.78 -57.62 3.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.078 -0.389 . . . . 0.0 112.023 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 t -96.05 -9.31 31.23 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 m 65.18 33.95 8.93 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.993 0.425 . . . . 0.0 110.504 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 169.46 9.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 m -102.53 136.24 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.72 179.801 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 120.794 0.331 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -133.09 176.65 8.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 0.0 111.602 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 28' ' ' SER . 7.8 m -138.85 129.71 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.798 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -106.03 135.84 46.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.292 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.85 146.11 51.66 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.678 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -85.14 -19.31 3.85 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.977 1.785 . . . . 0.0 113.637 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -105.58 -25.13 12.41 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.5 p -115.44 -22.74 9.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.1 m 60.88 27.03 16.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.533 0.206 . . . . 0.0 111.246 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -90.18 139.51 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.0 m -100.14 137.86 38.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.299 0.571 . . . . 0.0 112.338 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.764 ' O ' HG22 ' A' ' 19' ' ' VAL . 40.0 t -140.65 141.39 35.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.751 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -60.9 152.04 28.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -49.33 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.032 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.87 148.29 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.907 0.384 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -108.62 155.83 20.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.27 -32.77 71.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.62 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.2 mtt85 -59.55 -49.96 75.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.22 -40.01 94.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.252 0.549 . . . . 0.0 110.262 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -64.51 -19.45 65.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.332 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.21 -21.5 65.18 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.214 -0.304 . . . . 0.0 111.698 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -128.03 31.72 5.04 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 56.94 61.5 2.58 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.253 0.549 . . . . 0.0 111.735 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' ' 50' ' ' CYS . 88.3 mt -134.65 -176.9 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.417 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -139.41 105.4 5.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -54.31 123.2 12.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.891 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -90.8 127.92 36.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.757 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.66 -15.23 62.71 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -79.89 -62.88 1.55 Allowed 'General case' 0 N--CA 1.461 0.099 0 O-C-N 122.123 -0.361 . . . . 0.0 111.175 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 t -91.71 -11.13 37.74 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m 65.08 34.85 8.41 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -118.1 173.69 6.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' HD13 ' A' ' 41' ' ' LEU . 48.3 m -100.13 127.52 46.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.331 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 -179.687 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.86 162.71 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.216 0.531 . . . . 0.0 111.725 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 28' ' ' SER . 13.2 m -106.62 138.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.389 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.41 138.5 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.061 0.458 . . . . 0.0 112.062 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -91.6 145.08 30.55 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.441 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -85.7 -11.56 6.79 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.173 1.915 . . . . 0.0 114.141 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.483 ' HG3' HG23 ' A' ' 24' ' ' THR . 3.0 pt20 -100.14 -36.8 9.2 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.483 HG23 ' HG3' ' A' ' 23' ' ' GLN . 71.5 p -109.07 -18.68 13.6 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.7 m 63.78 17.55 10.56 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.4 155.49 18.91 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 122.263 -0.273 . . . . 0.0 110.295 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.4 m -111.05 141.26 44.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.194 0.521 . . . . 0.0 111.493 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 19' ' ' VAL . 7.3 m -140.69 140.71 34.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.216 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.1 m -54.99 143.12 27.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 112.083 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -53.58 9.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.873 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -64.43 156.67 28.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.5 p -115.66 155.73 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.087 0.47 . . . . 0.0 111.416 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.17 -33.64 72.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.746 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -58.64 -45.59 88.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.35 -47.22 86.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.75 -44.97 95.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.885 0.374 . . . . 0.0 110.322 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -22.55 65.0 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.314 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -26.3 63.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.291 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -123.55 37.25 4.46 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.164 0.507 . . . . 0.0 109.931 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 55.81 33.3 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.996 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 51' ' ' ASP . 44.2 mt -109.48 164.79 12.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -130.02 111.82 12.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 49' ' ' ARG . 61.6 tp -51.38 122.94 8.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.279 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -92.05 126.4 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.978 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.13 -8.3 44.2 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -79.86 -53.95 6.29 Favored 'General case' 0 C--O 1.231 0.127 0 O-C-N 121.976 -0.453 . . . . 0.0 111.129 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.5 t -110.35 2.04 18.82 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.4 m 58.69 30.03 19.4 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 122.063 -0.398 . . . . 0.0 111.446 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 43' ' ' LEU . 4.1 mmp_? -111.94 175.5 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.176 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.7 m -97.2 132.73 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.678 0.275 . . . . 0.0 110.449 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.517 ' O ' HD22 ' A' ' 41' ' ' LEU . 18.7 t70 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.025 0.441 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -92.2 145.98 24.07 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 28' ' ' SER . 7.7 m -107.54 133.45 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -99.62 136.43 39.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 111.606 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.14 136.42 27.3 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.21 32.52 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.506 2.137 . . . . 0.0 113.312 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -137.37 -48.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 110.172 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.9 p -108.3 -8.04 15.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.22 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.72 12.9 6.99 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 144.41 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 m -106.11 149.49 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 111.414 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' HG22 ' A' ' 19' ' ' VAL . 21.4 p -139.97 144.92 37.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.587 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -59.72 137.83 57.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.74 -10.24 59.24 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -90.3 167.09 12.93 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.081 -0.387 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -123.47 143.82 49.91 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.085 0.469 . . . . 0.0 111.314 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.53 -32.5 72.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.715 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 m -59.99 -44.77 94.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -60.59 -47.53 85.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -62.9 -46.88 85.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.936 0.398 . . . . 0.0 110.428 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -64.45 -20.55 66.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.664 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.01 67.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.574 0.226 . . . . 0.0 111.135 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -126.07 37.12 4.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.619 ' O ' HD23 ' A' ' 41' ' ' LEU . 4.0 mp0 56.35 59.49 3.62 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.64 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 40' ' ' GLN . 34.4 mt -140.19 156.65 46.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.56 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -116.86 120.53 38.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.51 120.36 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -90.01 123.06 33.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.652 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -73.12 -6.86 48.47 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -48.4 13.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 122.012 -0.43 . . . . 0.0 110.266 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 t -115.14 -3.11 12.6 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 m 63.13 33.78 14.19 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.914 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -118.08 170.03 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.337 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.9 m -100.65 128.26 46.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.73 0.3 . . . . 0.0 110.473 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.247 -179.624 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.6 mm? . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -98.39 158.42 15.59 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 28' ' ' SER . 5.6 m -126.54 127.09 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.941 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -99.84 136.51 39.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.052 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.38 140.28 30.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.11 34.91 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.715 2.277 . . . . 0.0 113.172 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -142.52 -50.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.14 0.495 . . . . 0.0 109.847 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -102.59 -12.71 17.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.162 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.37 15.02 8.37 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -90.42 139.89 30.24 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.197 -0.314 . . . . 0.0 110.316 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.5 m -105.05 143.17 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 19' ' ' VAL . 8.7 p -140.68 142.47 34.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.994 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.9 m -64.34 131.82 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.931 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -47.56 83.22 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.491 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.78 149.1 49.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 111.117 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -113.2 157.02 22.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.15 -33.06 70.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.874 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.6 m -61.15 -45.56 94.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.679 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.8 -51.22 70.48 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.216 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.4 m -61.87 -45.99 91.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -58.11 -21.42 46.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.56 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.9 -23.18 60.82 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -128.03 35.4 4.46 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.014 0.435 . . . . 0.0 110.147 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 57.02 38.94 29.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.713 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -110.22 177.68 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.329 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -139.6 105.11 5.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 111.497 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 49' ' ' ARG . 47.7 tp -50.3 119.26 3.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.265 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -89.94 122.99 33.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.896 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.43 -10.55 45.12 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -79.74 -55.77 4.76 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 121.986 -0.446 . . . . 0.0 111.371 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 t -106.13 1.11 25.99 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m 59.36 29.91 19.54 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 122.01 -0.431 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 43' ' ' LEU . 68.6 mtp85 -112.04 173.31 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -100.05 128.82 46.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 111.017 -179.833 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -89.21 146.89 24.46 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.137 0.426 . . . . 0.0 110.653 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 28' ' ' SER . 5.1 m -110.93 127.61 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -103.5 131.62 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.171 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.16 145.38 68.92 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -84.31 -14.78 6.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.939 1.759 . . . . 0.0 113.803 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -102.04 -44.43 5.47 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -99.63 -17.15 17.95 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 m 61.59 28.48 17.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.549 0.214 . . . . 0.0 111.263 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -90.52 160.71 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.7 m -122.05 139.52 53.6 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.189 0.518 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 19' ' ' VAL . 6.5 m -140.51 139.04 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.008 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.1 m -61.49 141.8 57.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.618 0.247 . . . . 0.0 110.759 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -70.77 -7.75 47.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -108.9 161.72 14.87 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.805 -0.559 . . . . 0.0 110.76 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -117.68 150.15 39.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 0.0 111.109 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -61.38 -33.04 73.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 p -60.41 -42.54 96.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -61.92 -47.01 86.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.19 -44.94 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.345 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -61.55 -19.88 62.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.747 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.31 -21.8 50.54 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -133.66 37.49 3.29 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.94 0.4 . . . . 0.0 110.306 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 55.03 65.27 1.54 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.648 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.75 -179.76 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -139.41 113.36 8.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.91 124.05 18.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.0 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -90.27 128.56 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.84 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.45 -15.03 62.32 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -79.63 -60.63 2.28 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.123 -0.36 . . . . 0.0 111.35 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 p -94.32 -12.46 27.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.7 m 64.93 40.45 5.31 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.129 0.49 . . . . 0.0 110.557 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.24 168.34 14.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.4 m -95.3 128.83 42.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.792 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -89.0 143.9 26.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.807 0.337 . . . . 0.0 110.936 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.813 HG22 ' O ' ' A' ' 28' ' ' SER . 11.8 m -100.01 134.73 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -99.32 138.67 36.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.79 126.74 48.35 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.61 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.02 38.79 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.029 1.819 . . . . 0.0 114.9 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.578 ' HG3' HG23 ' A' ' 24' ' ' THR . 12.0 pt20 -148.77 -48.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.984 0.421 . . . . 0.0 109.873 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.578 HG23 ' HG3' ' A' ' 23' ' ' GLN . 63.4 p -100.53 -16.58 17.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.803 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 m 66.2 21.22 11.11 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -90.4 144.61 25.65 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.3 m -100.48 148.61 24.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 111.338 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.813 ' O ' HG22 ' A' ' 19' ' ' VAL . 4.6 m -140.11 132.72 28.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.523 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -57.43 141.23 48.12 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.023 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -58.09 -60.62 3.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.323 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.84 149.72 49.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.152 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -113.66 164.63 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.965 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.49 -34.57 75.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -50.53 73.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -57.01 -49.06 76.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.2 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.42 -45.33 94.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -61.01 -24.12 65.92 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.471 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.67 64.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.717 0.294 . . . . 0.0 111.27 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 36.9 4.53 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.053 0.454 . . . . 0.0 110.1 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.58 34.66 24.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.543 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 mt -112.55 165.43 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.195 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -134.09 114.61 13.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.228 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 tp -50.19 125.66 12.9 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -90.01 131.03 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.49 -19.41 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.57 -56.64 4.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.647 0.261 . . . . 0.0 111.607 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 p -96.85 -5.18 38.87 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.2 m 57.87 28.63 16.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.095 0.407 . . . . 0.0 111.361 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -112.17 178.39 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.146 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.35 133.76 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.287 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.462 0.154 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.146 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.231 0.114 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -90.0 161.74 15.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.466 0.651 . . . . 0.0 112.288 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 28' ' ' SER . 6.1 m -114.52 135.86 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.737 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -99.66 131.28 45.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 111.437 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -82.88 142.4 44.96 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -89.58 36.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.442 2.095 . . . . 0.0 113.618 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -150.13 -49.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.094 0.473 . . . . 0.0 110.032 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.2 p -99.82 -18.16 17.31 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.635 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.3 m 63.13 25.02 14.71 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -90.37 149.7 22.18 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.07 139.42 35.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.809 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.5 p -140.89 134.32 29.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.97 137.14 21.7 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -10.09 59.45 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -94.3 165.32 12.64 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 121.931 -0.481 . . . . 0.0 110.74 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -125.15 148.0 48.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.191 0.519 . . . . 0.0 111.503 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -34.5 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.9 m -57.38 -50.01 74.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -57.8 -48.12 80.63 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.183 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -60.43 -23.45 64.4 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.411 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.47 -29.71 64.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 111.215 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HD2' HD12 ' A' ' 41' ' ' LEU . 6.5 ptp85 -121.87 40.02 3.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.055 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 54.92 36.45 26.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.272 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD12 ' HD2' ' A' ' 39' ' ' ARG . 79.8 mt -117.65 153.54 33.13 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.69 0.281 . . . . 0.0 110.298 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.47 123.65 46.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.539 ' OD1' HG22 ' A' ' 47' ' ' THR . 28.6 t-20 -90.15 126.9 35.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.59 -21.45 62.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -83.1 -56.5 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.539 HG22 ' OD1' ' A' ' 44' ' ' ASN . 7.1 t -91.12 -14.31 31.44 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.7 m 63.93 38.74 8.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 111.082 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -122.71 170.66 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.3 m -105.02 130.86 53.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' HD22 ' A' ' 41' ' ' LEU . 22.6 m-20 . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.8 mm? . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.34 157.58 18.68 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.663 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 28' ' ' SER . 7.0 m -100.2 157.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -139.88 130.54 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 0.0 112.005 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.4 136.58 71.69 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.469 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -88.95 40.85 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.388 2.058 . . . . 0.0 113.302 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -149.57 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.404 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -105.69 -9.27 17.4 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.5 m 62.87 27.78 16.13 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 121.954 -0.466 . . . . 0.0 111.024 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 148.27 23.14 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -115.55 146.89 41.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.144 0.497 . . . . 0.0 111.915 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.684 ' O ' HG22 ' A' ' 19' ' ' VAL . 15.1 m -140.04 137.05 34.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.123 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.82 142.52 50.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.297 0.57 . . . . 0.0 111.558 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -65.41 -32.61 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.53 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -104.19 164.68 11.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.471 HG23 ' NH2' ' A' ' 35' ' ' ARG . 67.5 p -120.6 149.48 42.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.226 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.05 -33.39 75.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -57.55 -44.69 85.4 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' NH2' HG23 ' A' ' 32' ' ' THR . 50.0 mtm-85 -62.34 -42.8 99.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.254 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.5 m -62.87 -47.36 83.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.271 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -64.15 -18.08 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.891 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.14 69.16 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.28 . . . . 0.0 111.487 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -127.3 37.28 4.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.028 0.442 . . . . 0.0 110.647 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 54.75 66.66 1.18 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.85 -177.21 4.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -138.03 125.43 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.88 128.99 37.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -91.83 135.34 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.365 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.47 -16.86 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -81.47 -42.25 20.59 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.732 0.301 . . . . 0.0 111.756 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.3 p -111.4 -12.55 14.01 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.8 m 64.51 31.31 12.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -118.23 169.38 9.76 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 m -99.31 137.1 38.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 110.757 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.719 179.84 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.35 152.12 21.69 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.982 -0.449 . . . . 0.0 111.428 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 28' ' ' SER . 3.5 m -101.14 121.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.044 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -99.73 125.84 45.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.409 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.72 142.74 98.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -83.23 -14.99 8.05 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.952 1.768 . . . . 0.0 113.916 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.508 ' HG3' HG23 ' A' ' 24' ' ' THR . 7.2 pt20 -108.86 -38.04 5.71 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 23' ' ' GLN . 53.9 p -106.41 -14.66 15.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 62.68 34.77 14.58 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 148.62 23.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.088 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.18 140.65 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 111.657 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.756 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -139.97 135.56 32.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.634 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 m -64.95 135.58 55.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.08 0.467 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -61.17 -30.9 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.792 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -106.74 166.06 10.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.9 p -122.71 151.17 41.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 111.365 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -46.8 77.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.318 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -61.64 -41.89 98.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.167 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -62.39 -47.74 82.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -20.7 65.95 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.999 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.43 69.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.748 0.308 . . . . 0.0 111.331 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -126.61 38.57 4.09 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 53.74 68.08 0.9 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.235 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -140.15 -178.73 5.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.48 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -139.65 126.89 21.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 tp -74.61 119.08 18.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.994 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -89.71 124.96 35.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.675 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.55 -8.43 41.53 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -79.76 -47.01 15.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.116 0.417 . . . . 0.0 111.359 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 p -114.2 -4.76 13.05 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m 63.14 32.31 15.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.791 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -117.38 170.62 8.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.0 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.5 m -102.71 140.3 37.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.596 0.236 . . . . 0.0 110.746 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.717 179.841 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -88.29 142.66 27.56 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.956 0.408 . . . . 0.0 110.599 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 28' ' ' SER . 7.6 m -105.89 131.1 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.318 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -99.81 134.34 42.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.415 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.62 136.51 34.8 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.766 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -89.5 32.81 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 122.448 2.098 . . . . 0.0 113.848 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.506 ' HG3' HG23 ' A' ' 24' ' ' THR . 7.7 pt20 -142.11 -49.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.237 0.541 . . . . 0.0 110.017 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 23' ' ' GLN . 50.6 p -103.79 -9.19 19.23 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.248 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m 61.97 15.95 7.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -90.21 143.58 26.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.0 m -103.04 149.94 24.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 111.741 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 19' ' ' VAL . 12.2 p -140.11 140.34 36.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.3 m -59.28 139.91 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HG2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -71.37 -11.13 60.74 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.49 165.59 11.17 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 122.034 -0.416 . . . . 0.0 110.479 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.7 p -121.13 146.35 46.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.88 -32.56 70.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.799 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -61.65 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -57.66 -50.48 73.04 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.27 -41.88 97.69 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.234 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.5 -19.61 66.0 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.326 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.42 -26.66 68.61 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.447 -0.158 . . . . 0.0 111.226 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.84 35.22 4.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 56.66 38.96 29.94 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.592 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.5 mt -111.56 172.94 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.515 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -133.97 116.46 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.162 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.41 116.17 3.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -89.82 126.45 35.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -73.37 -2.59 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.479 ' CD ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -80.32 -42.01 23.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.469 0.577 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' CD ' ' A' ' 46' ' ' ARG . 2.7 t -127.04 5.41 6.49 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 m 60.27 37.96 20.14 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.281 0.491 . . . . 0.0 111.343 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -117.46 173.22 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.303 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.9 m -107.86 128.72 54.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.782 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.836 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.7 mm? . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.87 148.25 23.28 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 0.0 111.156 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 28' ' ' SER . 4.9 m -99.78 117.46 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -100.32 123.23 44.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -69.69 139.99 89.06 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -89.91 38.69 0.38 Allowed 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 122.445 2.096 . . . . 0.0 113.47 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.504 ' HG3' HG23 ' A' ' 24' ' ' THR . 11.4 pt20 -150.4 -48.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.087 0.47 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 23' ' ' GLN . 68.3 p -106.06 -13.44 15.46 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.115 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.0 m 63.66 37.98 9.77 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.153 -0.342 . . . . 0.0 111.236 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 142.27 27.92 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 75.8 m -108.91 138.98 44.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.197 0.522 . . . . 0.0 111.444 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.77 ' O ' HG22 ' A' ' 19' ' ' VAL . 16.1 m -140.26 137.68 34.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.209 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.84 136.41 57.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.403 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.8 -30.5 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.823 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -101.82 165.16 11.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -121.3 149.46 42.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.78 -34.27 77.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 p -56.85 -45.31 82.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.0 -42.13 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 110.145 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.54 -47.96 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.01 -18.87 65.67 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.816 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -28.0 68.78 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.291 -0.256 . . . . 0.0 111.267 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -126.52 37.99 4.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.012 0.434 . . . . 0.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.7 mp0 55.57 59.95 3.6 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.821 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 40' ' ' GLN . 31.9 mt -139.78 151.99 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -111.32 130.44 55.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 tp -70.75 124.04 23.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -90.07 127.33 36.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.978 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -72.62 -4.09 28.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -86.36 -43.04 13.17 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.978 -0.451 . . . . 0.0 111.393 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 p -119.66 -3.07 10.35 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.9 m 62.63 31.61 16.7 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.191 0.45 . . . . 0.0 110.994 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -115.49 173.55 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.919 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 m -100.79 138.25 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 0.0 110.791 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.764 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -94.29 143.79 26.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 28' ' ' SER . 10.7 m -110.66 137.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.468 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -102.79 130.12 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 111.834 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -85.36 135.14 39.2 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.59 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -90.35 31.1 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.526 2.15 . . . . 0.0 113.604 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -135.29 -47.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.811 0.339 . . . . 0.0 110.329 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.0 p -109.59 -6.05 15.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m 62.48 14.27 6.84 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.205 0.457 . . . . 0.0 112.18 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -90.47 140.46 29.71 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -103.06 144.93 30.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.004 0.43 . . . . 0.0 111.357 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 19' ' ' VAL . 11.8 p -140.38 142.77 35.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.727 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.8 m -55.35 138.4 45.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.367 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -23.14 64.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -86.69 163.53 17.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.876 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.1 p -124.3 150.47 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.154 0.502 . . . . 0.0 111.483 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.85 -34.32 74.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.758 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -57.58 -49.48 76.27 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -57.93 -48.22 80.57 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.34 -45.08 94.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.519 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.18 -22.76 66.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -28.74 63.8 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 111.429 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -123.56 41.34 3.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.261 0.553 . . . . 0.0 109.806 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 52.29 38.22 24.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.12 168.93 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.02 122.92 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.37 123.38 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -89.85 127.28 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.77 -17.12 64.43 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -79.99 -60.64 2.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 111.715 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 p -90.73 -12.21 37.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.8 m 63.78 31.96 13.85 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 122.141 -0.349 . . . . 0.0 110.79 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -120.17 174.85 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -102.57 135.88 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.559 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.816 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -88.81 142.66 27.48 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 28' ' ' SER . 5.9 m -104.38 122.42 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -99.85 128.6 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.6 142.7 86.52 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.14 -12.99 10.37 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.016 1.811 . . . . 0.0 113.787 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -104.97 -46.95 4.14 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -99.95 -17.04 17.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.2 m 64.14 33.64 11.72 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -90.62 155.4 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -117.95 137.98 52.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.267 0.556 . . . . 0.0 111.971 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.667 ' O ' HG22 ' A' ' 19' ' ' VAL . 7.2 m -140.2 135.43 32.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.874 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.79 139.58 57.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.783 0.325 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -68.97 -29.97 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -90.32 163.51 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -120.29 149.06 42.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 111.314 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.86 -31.66 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.698 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -60.25 -43.44 96.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.14 -46.04 90.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -62.38 -46.73 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.367 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -66.25 -18.35 65.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.819 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -27.17 69.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.591 0.234 . . . . 0.0 111.293 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -125.7 36.37 4.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 56.57 56.94 5.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 40' ' ' GLN . 54.9 mt -140.02 150.57 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.534 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.52 129.73 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.203 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -69.95 133.28 47.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -95.59 132.49 40.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.559 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -78.17 -17.23 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.85 -43.43 22.35 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 t -113.73 -10.47 13.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.4 m 65.54 33.34 8.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.089 -0.382 . . . . 0.0 110.814 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -118.2 168.17 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.037 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.4 m -98.94 141.63 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.752 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 152.83 21.27 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 28' ' ' SER . 15.8 m -100.03 138.7 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.929 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -99.32 134.86 41.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.24 142.06 35.44 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -89.54 33.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.448 2.098 . . . . 0.0 113.778 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -146.86 -49.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.095 0.474 . . . . 0.0 110.09 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -100.15 -18.73 16.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.58 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m 63.9 26.11 14.15 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -90.45 147.97 23.07 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.1 m -99.64 142.39 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.9 p -141.28 137.67 32.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.701 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.58 138.15 57.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -68.14 -53.2 26.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.402 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' HB3' HD11 ' A' ' 43' ' ' LEU . 52.7 t30 -58.43 161.33 4.53 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.72 0.295 . . . . 0.0 111.37 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.7 p -121.12 153.86 36.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 111.767 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.08 -33.18 68.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.01 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -60.64 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.849 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -51.68 66.84 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.539 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.5 m -60.65 -44.31 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.455 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -64.09 -22.43 66.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.483 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.68 -29.17 67.89 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.719 0.295 . . . . 0.0 111.083 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' HD2' HD12 ' A' ' 41' ' ' LEU . 13.3 ptp180 -120.62 36.31 4.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.968 0.414 . . . . 0.0 110.555 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 53.21 65.56 1.48 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.17 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.493 HD13 ' CB ' ' A' ' 50' ' ' CYS . 93.9 mt -140.61 -178.69 5.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.47 107.18 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 31' ' ' ASN . 2.7 tp -55.26 130.96 44.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.051 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -96.12 111.79 23.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -16.14 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -79.39 -50.46 10.8 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.8 p -103.54 -9.64 19.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.53 29.9 5.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.23 -0.294 . . . . 0.0 110.957 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -114.46 162.78 16.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.493 ' CB ' HD13 ' A' ' 41' ' ' LEU . 61.3 m -92.53 138.3 31.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' HD22 ' A' ' 41' ' ' LEU . 16.9 t70 . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 111.158 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.687 HD22 ' HD3' ' A' ' 30' ' ' LYS . 27.4 mt . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 112.567 0.581 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -91.36 154.31 19.29 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 122.047 -0.408 . . . . 0.0 111.126 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 28' ' ' SER . 4.6 m -123.37 118.74 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -100.51 133.26 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 111.683 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.11 137.39 35.17 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.763 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.26 -4.41 13.12 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.919 1.746 . . . . 0.0 113.942 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -98.96 -50.32 4.23 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 117.799 0.272 . . . . 0.0 111.356 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -100.26 -11.04 20.7 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.8 m 61.75 26.88 16.4 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 117.887 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.96 178.27 6.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -140.25 139.22 35.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 19' ' ' VAL . 13.2 m -140.42 135.97 32.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.73 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m -58.78 141.03 54.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.787 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HD3' HD22 ' A' ' 17' ' ' LEU . 11.6 ptmt -71.76 -23.83 61.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -88.76 163.67 15.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.714 0.292 . . . . 0.0 111.091 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 p -123.32 152.86 41.02 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 111.489 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.1 -33.87 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.762 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.5 m -58.41 -47.68 83.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -60.31 -46.84 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.0 m -63.22 -46.34 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -64.1 -18.97 64.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.835 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.75 65.7 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -128.8 38.62 3.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.138 0.494 . . . . 0.0 110.464 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 55.46 59.57 3.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.779 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 40' ' ' GLN . 28.0 mt -139.58 153.93 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.539 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -114.2 125.74 54.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.05 121.74 16.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -89.98 125.69 35.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.755 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.65 -10.75 59.48 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -79.91 -53.38 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 122.019 -0.425 . . . . 0.0 111.361 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -104.24 -8.58 19.23 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.6 m 63.84 36.52 10.31 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -124.09 172.02 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.263 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.1 m -99.27 138.57 36.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.785 0.326 . . . . 0.0 110.794 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.648 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -88.92 162.11 16.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.158 0.504 . . . . 0.0 111.784 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 28' ' ' SER . 9.7 m -118.81 136.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.384 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.96 125.07 45.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 0.0 111.598 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.4 138.12 51.86 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.621 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -91.72 25.1 0.49 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 122.712 2.274 . . . . 0.0 113.053 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -121.21 -36.71 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 p -138.44 10.62 2.74 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m 54.63 25.38 6.32 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.093 -0.379 . . . . 0.0 111.819 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -90.32 145.54 24.89 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.96 144.68 31.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.165 0.507 . . . . 0.0 111.395 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 19' ' ' VAL . 41.2 t -140.35 142.51 35.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.641 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.34 138.21 58.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.647 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -63.26 -29.49 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.253 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -96.6 163.36 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -119.58 155.49 32.13 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 111.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.774 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -44.8 89.2 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -62.07 -45.07 95.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.447 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.3 m -62.08 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -65.79 -18.44 65.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.97 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.72 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.548 0.213 . . . . 0.0 111.426 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -129.01 39.3 3.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.98 0.419 . . . . 0.0 110.456 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.535 ' O ' HD23 ' A' ' 41' ' ' LEU . 24.2 mp0 55.37 59.3 4.01 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.888 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 40' ' ' GLN . 17.7 mt -140.07 152.94 46.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -115.21 128.47 56.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 49' ' ' ARG . 56.7 tp -70.48 121.53 17.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.78 126.82 35.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.92 -9.5 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -79.62 -54.43 5.89 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 121.953 -0.467 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -101.97 -8.51 21.46 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m 62.21 36.42 14.92 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 43' ' ' LEU . 41.2 mmm-85 -125.39 175.58 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.3 m -100.0 143.86 29.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.675 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.993 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.886 0.375 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -94.23 -25.5 17.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.564 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -160.2 -71.95 0.07 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.906 0.384 . . . . 0.0 111.011 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 68.09 79.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.72 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -149.44 83.02 6.63 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.412 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.5 133.24 44.69 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.974 1.783 . . . . 0.0 112.886 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 55.6 m -113.3 137.99 50.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.232 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.69 141.44 27.47 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.611 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -49.57 143.45 21.54 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 122.178 1.919 . . . . 0.0 112.715 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' SG ' ' NE2' ' A' ' 20' ' ' GLN . 72.8 m -91.73 -71.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.131 0.491 . . . . 0.0 110.708 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -90.55 -159.16 0.59 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.542 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -125.04 -70.82 0.73 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -100.2 -50.49 3.94 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -94.96 58.72 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.406 0.622 . . . . 0.0 109.886 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -89.42 -16.53 30.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.827 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -59.92 -26.2 65.75 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.235 -0.291 . . . . 0.0 111.681 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.1 mm? -72.18 -13.68 61.61 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -93.84 166.16 12.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.451 0.643 . . . . 0.0 112.133 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 28' ' ' SER . 4.2 m -128.49 127.88 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.787 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 13.0 tt0 -109.56 139.0 45.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.633 0.73 . . . . 0.0 112.298 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.41 142.55 24.99 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.504 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.16 -2.31 11.62 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.059 1.839 . . . . 0.0 114.166 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.65 -43.0 5.72 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 122.142 -0.349 . . . . 0.0 111.454 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 p -102.23 -18.49 15.47 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.0 m 63.94 17.94 10.88 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.288 0.368 . . . . 0.0 111.852 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -90.12 173.57 8.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.0 m -129.48 148.65 51.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.263 0.554 . . . . 0.0 112.043 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.75 ' O ' HG22 ' A' ' 19' ' ' VAL . 5.0 m -140.27 136.1 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.492 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.5 m -59.51 150.79 25.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.99 0.424 . . . . 0.0 111.68 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -74.08 -57.92 3.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.666 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -63.91 151.18 43.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.662 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 163.03 15.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.14 -33.25 71.9 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 m -59.97 -44.96 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -60.05 -49.32 78.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.6 m -61.81 -45.94 91.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -20.66 62.9 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.754 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.58 -24.38 60.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -128.61 37.93 4.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 110.334 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.489 ' O ' HD23 ' A' ' 41' ' ' LEU . 24.8 mp0 56.84 58.35 4.12 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.7 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 40' ' ' GLN . 48.8 mt -138.98 168.68 19.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -132.77 115.32 15.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.285 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 tp -58.65 127.75 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.272 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -97.46 130.34 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.05 -2.74 32.21 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -79.88 -49.86 11.33 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.468 0.577 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 t -117.53 -3.11 11.38 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m 64.95 55.52 1.16 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -139.89 166.47 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.99 140.97 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -138.67 160.56 39.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.45 111.63 64.01 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.48 -47.04 1.63 Allowed 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.768 1.645 . . . . 0.0 112.36 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.65 -69.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.728 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.78 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 61.61 176.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.038 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -57.15 -21.99 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.168 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -99.36 161.26 13.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.754 0.311 . . . . 0.0 110.96 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -141.78 74.26 22.73 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -87.97 -170.75 0.58 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.226 1.951 . . . . 0.0 112.748 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -124.77 162.91 23.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.379 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.92 143.26 16.43 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.488 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -45.43 172.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.81 2.34 . . . . 0.0 113.297 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.7 m -90.31 -82.83 0.27 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -90.34 -166.12 1.51 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.606 0.241 . . . . 0.0 110.932 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -108.66 -38.08 5.74 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -127.76 -59.4 1.2 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.779 0.323 . . . . 0.0 111.184 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 mtt85 -90.6 59.22 4.18 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.349 0.595 . . . . 0.0 109.525 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -90.75 -21.27 21.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.399 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.584 ' CD2' HD22 ' A' ' 17' ' ' LEU . 25.1 p-80 -57.22 -19.96 24.2 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD22 ' CD2' ' A' ' 16' ' ' HIS . 4.0 mm? -77.34 -16.68 58.78 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 11' ' ' SER . 35.3 m-85 -89.89 173.04 8.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.402 0.62 . . . . 0.0 111.802 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' SER . 4.4 m -139.99 125.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.479 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -99.78 133.02 44.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 111.616 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.92 144.32 85.22 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.555 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.32 -16.22 10.95 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.878 1.719 . . . . 0.0 113.625 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -106.7 -38.43 6.12 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.5 p -99.88 -24.4 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m 63.03 26.61 15.54 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.445 0.164 . . . . 0.0 111.383 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 142.82 27.36 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.5 m -99.86 134.45 42.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.353 0.597 . . . . 0.0 111.836 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.458 ' O ' HG22 ' A' ' 19' ' ' VAL . 40.9 t -140.81 140.1 34.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.861 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.85 149.59 43.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.77 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -68.6 -58.51 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.472 ' O ' HD22 ' A' ' 43' ' ' LEU . 35.0 t-20 -70.15 145.23 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.481 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 p -107.91 164.49 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -35.75 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -57.9 -47.6 82.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -58.52 -48.81 79.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.4 m -59.71 -43.29 94.19 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.578 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -62.96 -23.0 67.21 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.51 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.63 64.73 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 111.17 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -122.91 36.36 4.66 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.158 0.504 . . . . 0.0 110.064 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 58.87 41.53 21.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.417 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.04 162.8 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -133.54 120.9 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 49' ' ' ARG . 59.2 tp -51.34 121.04 5.66 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -89.86 126.68 35.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.448 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.27 -6.22 33.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -79.61 -54.29 6.03 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.562 0.619 . . . . 0.0 110.694 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 49' ' ' ARG . 5.1 t -111.31 8.82 21.54 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m 55.37 26.15 8.41 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.085 0.402 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 43' ' ' LEU . 12.1 mmm180 -110.77 -177.88 3.34 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.571 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.92 135.75 40.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -136.0 165.72 25.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -93.49 108.73 35.97 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.773 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.1 148.89 45.36 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 121.739 1.626 . . . . 0.0 112.809 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 ptt85 -159.83 -48.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.76 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -97.8 138.15 35.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -61.83 146.22 50.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -121.69 -177.82 3.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.19 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -90.29 113.68 58.29 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -91.47 27.89 0.4 Allowed 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.327 2.018 . . . . 0.0 113.36 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.2 m -117.54 153.68 32.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.744 0.307 . . . . 0.0 110.638 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.67 177.06 51.26 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.811 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.61 174.85 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 122.146 1.897 . . . . 0.0 112.493 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.0 m -90.1 -79.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.779 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.42 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 42.9 t -90.25 -170.95 2.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.672 0.272 . . . . 0.0 110.457 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -131.3 40.74 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.974 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -141.76 -71.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -158.46 45.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.16 140.74 0.75 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -161.16 -46.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.452 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.6 mm? -95.0 22.72 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.683 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 11' ' ' SER . 5.2 m-85 -96.72 145.29 25.93 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 28' ' ' SER . 6.6 m -106.17 130.27 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -100.23 136.46 40.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.676 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.43 134.85 28.82 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -89.68 39.4 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.386 2.057 . . . . 0.0 113.568 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -148.82 -49.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.233 0.54 . . . . 0.0 110.133 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 p -101.16 -12.78 18.49 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.035 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 64.3 11.96 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 145.2 25.08 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -113.22 148.84 34.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.14 0.495 . . . . 0.0 111.468 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' HG22 ' A' ' 19' ' ' VAL . 26.7 m -140.33 144.78 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.7 m -57.89 139.65 53.76 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -61.93 -57.58 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' HB3' HD13 ' A' ' 43' ' ' LEU . 11.0 t-20 -60.92 154.95 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -118.1 154.97 31.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.298 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.64 -35.38 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.954 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -57.61 -47.91 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -58.49 -46.81 85.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -61.27 -45.77 93.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.733 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -59.17 -23.25 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.609 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.09 52.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.71 0.291 . . . . 0.0 111.649 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -126.75 38.94 4.02 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 110.159 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 56.91 38.55 29.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.685 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.2 mt -119.36 161.87 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.316 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.16 120.03 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.967 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 31' ' ' ASN . 66.3 tp -50.74 135.97 22.71 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.627 ' OD1' HG22 ' A' ' 47' ' ' THR . 25.2 t-20 -97.14 130.01 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.099 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.95 -22.5 61.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 mtt85 -79.84 -56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.627 HG22 ' OD1' ' A' ' 44' ' ' ASN . 5.1 t -95.63 -8.36 35.08 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 m 61.43 30.94 19.14 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.043 -0.41 . . . . 0.0 110.986 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -114.75 176.2 5.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.6 m -101.24 130.85 47.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.697 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -125.19 179.38 5.09 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.852 0.358 . . . . 0.0 110.787 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 99.15 35.4 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -85.48 -75.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 121.795 1.663 . . . . 0.0 112.831 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -154.53 -140.42 0.09 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 CA-C-N 119.26 0.937 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 60.72 -166.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 58.72 73.61 0.47 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.198 0.523 . . . . 0.0 111.163 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -141.21 33.98 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -149.86 85.17 5.67 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.18 -176.85 2.25 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.163 1.909 . . . . 0.0 113.036 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 m -148.93 173.64 13.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.036 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.58 -171.69 25.71 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.925 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -82.72 142.45 11.41 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.234 1.956 . . . . 0.0 112.807 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 m -90.79 -50.51 5.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.614 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 p -78.12 170.17 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.156 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.91 -61.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 175.83 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.773 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -67.84 83.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -41.52 176.55 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -178.232 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -153.68 -48.14 0.09 Allowed 'General case' 0 C--O 1.231 0.083 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.222 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.0 mp -94.63 23.38 5.4 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.663 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 18.4 m-85 -104.94 147.02 28.22 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.736 0.303 . . . . 0.0 110.549 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 28' ' ' SER . 4.4 m -119.43 124.77 73.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -99.86 139.46 35.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.95 0.405 . . . . 0.0 111.419 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.62 144.91 34.16 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.742 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -83.67 -12.53 8.71 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.017 1.811 . . . . 0.0 113.812 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -102.23 -46.85 4.7 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 p -99.84 -16.05 18.19 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m 62.73 18.91 11.03 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -90.24 139.99 30.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -103.22 143.81 32.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.456 . . . . 0.0 111.683 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 19' ' ' VAL . 5.2 p -140.01 138.17 35.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.455 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -57.33 141.01 48.48 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -58.83 6.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -61.36 155.29 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.494 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.0 p -118.38 153.11 34.58 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.482 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.62 -34.49 72.84 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.87 84.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -59.72 -46.65 88.47 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.93 0.395 . . . . 0.0 110.815 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.6 m -60.61 -42.64 97.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 110.471 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.19 -21.93 66.54 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.254 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.07 -26.21 64.43 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.302 -0.249 . . . . 0.0 111.271 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -122.8 37.5 4.39 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 55.58 33.91 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.953 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD22 ' HB2' ' A' ' 52' ' ' LYS . 24.1 mt -109.71 171.19 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.419 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.61 111.62 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.286 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -52.21 138.71 25.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 112.376 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -105.45 114.08 28.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.79 -16.32 27.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -79.78 -57.62 3.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.078 -0.389 . . . . 0.0 112.023 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 t -96.05 -9.31 31.23 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 m 65.18 33.95 8.93 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.993 0.425 . . . . 0.0 110.504 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 169.46 9.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 m -102.53 136.24 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.83 145.56 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' HB2' HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -123.49 111.19 29.96 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -58.04 -64.92 0.1 Allowed 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.687 1.591 . . . . 0.0 111.637 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.14 -92.12 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.775 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 . . . . . 0 C--N 1.338 0.107 0 O-C-N 121.884 -0.51 . . . . 0.0 110.887 179.715 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.832 0.348 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -89.56 -159.57 0.6 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.441 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.19 -31.66 38.75 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.561 0.22 . . . . 0.0 111.298 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 64.98 112.39 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.053 0.454 . . . . 0.0 110.768 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -150.21 85.63 5.4 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -85.62 -167.91 0.44 Allowed 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.185 1.924 . . . . 0.0 112.903 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.9 m -143.67 146.92 33.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.46 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.81 150.1 27.58 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 120.999 -0.62 . . . . 0.0 114.114 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -47.97 178.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 122.957 2.438 . . . . 0.0 113.108 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.08 -93.65 0.12 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.751 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -91.57 -169.64 2.36 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 121.793 -0.567 . . . . 0.0 111.359 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -141.82 32.17 1.61 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.396 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.49 -43.69 0.12 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.612 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.0 mmt-85 -152.61 60.58 0.81 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 45.1 pttt -84.01 -19.3 34.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.845 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -53.32 -22.92 8.0 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.08 44.7 1.05 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.794 0.331 . . . . 0.0 111.468 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 15' ' ' LYS . 44.8 m-85 -133.09 176.65 8.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 0.0 111.602 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 28' ' ' SER . 7.8 m -138.85 129.71 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.798 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -106.03 135.84 46.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.292 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.85 146.11 51.66 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.678 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -85.14 -19.31 3.85 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.977 1.785 . . . . 0.0 113.637 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -105.58 -25.13 12.41 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.5 p -115.44 -22.74 9.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.1 m 60.88 27.03 16.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.533 0.206 . . . . 0.0 111.246 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -90.18 139.51 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.0 m -100.14 137.86 38.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.299 0.571 . . . . 0.0 112.338 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.764 ' O ' HG22 ' A' ' 19' ' ' VAL . 40.0 t -140.65 141.39 35.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.751 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -60.9 152.04 28.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -49.33 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.032 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.87 148.29 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.907 0.384 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -108.62 155.83 20.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.27 -32.77 71.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.62 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.2 mtt85 -59.55 -49.96 75.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.22 -40.01 94.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.252 0.549 . . . . 0.0 110.262 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -64.51 -19.45 65.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.332 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.21 -21.5 65.18 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.214 -0.304 . . . . 0.0 111.698 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -128.03 31.72 5.04 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 56.94 61.5 2.58 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.253 0.549 . . . . 0.0 111.735 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' ' 50' ' ' CYS . 88.3 mt -134.65 -176.9 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.417 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -139.41 105.4 5.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -54.31 123.2 12.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.891 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -90.8 127.92 36.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.757 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.66 -15.23 62.71 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -79.89 -62.88 1.55 Allowed 'General case' 0 N--CA 1.461 0.099 0 O-C-N 122.123 -0.361 . . . . 0.0 111.175 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 t -91.71 -11.13 37.74 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m 65.08 34.85 8.41 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -118.1 173.69 6.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' HD13 ' A' ' 41' ' ' LEU . 48.3 m -100.13 127.52 46.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.331 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -114.44 -178.29 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.32 139.89 21.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.717 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.9 103.25 1.16 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.795 1.664 . . . . 0.0 112.413 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -139.16 -54.54 0.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.77 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.764 0.316 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -96.33 -176.28 3.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -128.1 139.72 52.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -93.47 -0.5 56.38 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -149.2 84.75 6.11 Favored Pre-proline 0 CA--C 1.534 0.361 0 O-C-N 121.939 -0.476 . . . . 0.0 111.285 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.78 -171.12 0.82 Allowed 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.171 1.914 . . . . 0.0 112.616 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -113.35 145.6 40.82 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.551 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.15 139.72 14.73 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.687 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -44.84 141.1 6.23 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 122.706 2.271 . . . . 0.0 113.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.9 m -90.37 -64.83 1.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.97 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -90.22 -168.08 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.01 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -110.47 -34.55 6.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.31 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -138.71 -46.9 0.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.697 0.284 . . . . 0.0 111.47 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.47 59.07 2.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.259 0.552 . . . . 0.0 110.494 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -16.54 31.97 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.569 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -70.32 -27.21 64.2 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.205 -0.309 . . . . 0.0 111.273 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.59 -40.23 74.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.86 162.71 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.216 0.531 . . . . 0.0 111.725 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 28' ' ' SER . 13.2 m -106.62 138.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.389 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.41 138.5 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.061 0.458 . . . . 0.0 112.062 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -91.6 145.08 30.55 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.441 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -85.7 -11.56 6.79 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.173 1.915 . . . . 0.0 114.141 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.483 ' HG3' HG23 ' A' ' 24' ' ' THR . 3.0 pt20 -100.14 -36.8 9.2 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.483 HG23 ' HG3' ' A' ' 23' ' ' GLN . 71.5 p -109.07 -18.68 13.6 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.7 m 63.78 17.55 10.56 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.4 155.49 18.91 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 122.263 -0.273 . . . . 0.0 110.295 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.4 m -111.05 141.26 44.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.194 0.521 . . . . 0.0 111.493 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 19' ' ' VAL . 7.3 m -140.69 140.71 34.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.216 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.1 m -54.99 143.12 27.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 112.083 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -53.58 9.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.873 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -64.43 156.67 28.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.5 p -115.66 155.73 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.087 0.47 . . . . 0.0 111.416 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.17 -33.64 72.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.746 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -58.64 -45.59 88.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.35 -47.22 86.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.75 -44.97 95.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.885 0.374 . . . . 0.0 110.322 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -22.55 65.0 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.314 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -26.3 63.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.291 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -123.55 37.25 4.46 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.164 0.507 . . . . 0.0 109.931 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 55.81 33.3 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.996 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 51' ' ' ASP . 44.2 mt -109.48 164.79 12.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -130.02 111.82 12.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 49' ' ' ARG . 61.6 tp -51.38 122.94 8.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.279 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -92.05 126.4 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.978 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.13 -8.3 44.2 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -79.86 -53.95 6.29 Favored 'General case' 0 C--O 1.231 0.127 0 O-C-N 121.976 -0.453 . . . . 0.0 111.129 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.5 t -110.35 2.04 18.82 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.4 m 58.69 30.03 19.4 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 122.063 -0.398 . . . . 0.0 111.446 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 43' ' ' LEU . 4.1 mmp_? -111.94 175.5 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.176 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.7 m -97.2 132.73 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.678 0.275 . . . . 0.0 110.449 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.517 ' O ' HD22 ' A' ' 41' ' ' LEU . 18.7 t70 -99.96 153.49 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.025 0.441 . . . . 0.0 111.236 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -103.71 149.68 37.37 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.613 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.99 -49.8 0.37 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.763 1.642 . . . . 0.0 112.39 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.42 -69.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.863 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.847 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.768 0.318 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -159.28 -45.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -157.26 136.4 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.599 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -106.25 120.34 41.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.247 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.74 103.59 54.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -58.15 -156.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.931 1.754 . . . . 0.0 113.163 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 95.3 m -132.06 172.45 12.36 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.934 0.397 . . . . 0.0 111.5 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.59 -169.82 44.56 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.306 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.45 -169.45 0.48 Allowed 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.536 2.157 . . . . 0.0 112.519 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.9 m -88.67 -76.16 0.41 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.267 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -88.48 -76.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.027 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -156.97 -67.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.642 0.258 . . . . 0.0 111.583 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -142.36 -48.44 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.228 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -66.24 -10.34 41.08 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 pptp? -47.7 143.65 3.77 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 15.1 p-80 -165.04 -44.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.594 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' CD2' ' A' ' 16' ' ' HIS . 19.3 mt -93.13 17.41 11.0 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.146 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -92.2 145.98 24.07 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 28' ' ' SER . 7.7 m -107.54 133.45 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -99.62 136.43 39.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 111.606 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.14 136.42 27.3 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.21 32.52 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.506 2.137 . . . . 0.0 113.312 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -137.37 -48.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 110.172 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.9 p -108.3 -8.04 15.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.22 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.72 12.9 6.99 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 144.41 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 m -106.11 149.49 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 111.414 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' HG22 ' A' ' 19' ' ' VAL . 21.4 p -139.97 144.92 37.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.587 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -59.72 137.83 57.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.74 -10.24 59.24 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -90.3 167.09 12.93 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.081 -0.387 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -123.47 143.82 49.91 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.085 0.469 . . . . 0.0 111.314 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.53 -32.5 72.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.715 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 m -59.99 -44.77 94.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -60.59 -47.53 85.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -62.9 -46.88 85.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.936 0.398 . . . . 0.0 110.428 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -64.45 -20.55 66.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.664 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.01 67.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.574 0.226 . . . . 0.0 111.135 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -126.07 37.12 4.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.619 ' O ' HD23 ' A' ' 41' ' ' LEU . 4.0 mp0 56.35 59.49 3.62 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.64 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 40' ' ' GLN . 34.4 mt -140.19 156.65 46.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.56 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -116.86 120.53 38.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.51 120.36 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -90.01 123.06 33.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.652 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -73.12 -6.86 48.47 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -48.4 13.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 122.012 -0.43 . . . . 0.0 110.266 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 t -115.14 -3.11 12.6 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 m 63.13 33.78 14.19 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.914 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -118.08 170.03 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.337 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.9 m -100.65 128.26 46.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.73 0.3 . . . . 0.0 110.473 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.07 158.36 18.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.247 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 99.22 32.84 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.54 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.86 138.08 16.39 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.918 1.746 . . . . 0.0 112.936 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -148.28 -63.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.4 ttm105 -154.83 35.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 57.64 25.71 12.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.824 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.08 43.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.985 0.422 . . . . 0.0 110.757 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -109.38 92.24 11.27 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.4 125.13 3.84 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.098 1.865 . . . . 0.0 112.85 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.7 m -146.23 173.54 12.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.09 -167.9 42.18 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.864 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.29 -172.53 1.52 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.504 2.136 . . . . 0.0 112.216 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.9 m -90.11 -75.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t -89.96 -74.54 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -162.77 -67.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.199 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -144.37 -49.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.966 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -17.38 52.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.202 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.48 137.13 0.62 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -163.38 -44.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.645 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.6 mm? -91.55 19.63 6.09 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.091 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -98.39 158.42 15.59 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 28' ' ' SER . 5.6 m -126.54 127.09 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.941 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -99.84 136.51 39.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.052 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.38 140.28 30.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.11 34.91 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.715 2.277 . . . . 0.0 113.172 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -142.52 -50.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.14 0.495 . . . . 0.0 109.847 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -102.59 -12.71 17.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.162 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.37 15.02 8.37 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -90.42 139.89 30.24 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.197 -0.314 . . . . 0.0 110.316 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.5 m -105.05 143.17 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 19' ' ' VAL . 8.7 p -140.68 142.47 34.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.994 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.9 m -64.34 131.82 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.931 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -47.56 83.22 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.491 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.78 149.1 49.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 111.117 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -113.2 157.02 22.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.15 -33.06 70.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.874 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.6 m -61.15 -45.56 94.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.679 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.8 -51.22 70.48 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.216 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.4 m -61.87 -45.99 91.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -58.11 -21.42 46.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.56 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.9 -23.18 60.82 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -128.03 35.4 4.46 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.014 0.435 . . . . 0.0 110.147 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 57.02 38.94 29.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.713 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -110.22 177.68 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.329 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -139.6 105.11 5.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 111.497 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 49' ' ' ARG . 47.7 tp -50.3 119.26 3.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.265 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -89.94 122.99 33.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.896 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.43 -10.55 45.12 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -79.74 -55.77 4.76 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 121.986 -0.446 . . . . 0.0 111.371 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 t -106.13 1.11 25.99 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m 59.36 29.91 19.54 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 122.01 -0.431 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 43' ' ' LEU . 68.6 mtp85 -112.04 173.31 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -100.05 128.82 46.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -108.38 164.39 12.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.59 136.89 25.68 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.724 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.32 -173.28 1.08 Allowed 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.819 1.68 . . . . 0.0 112.527 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -98.26 89.27 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.82 -63.41 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -66.74 -75.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -164.93 121.3 1.46 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.816 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -124.44 110.8 28.27 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.251 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.26 -148.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.939 1.76 . . . . 0.0 112.116 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -115.04 159.05 21.27 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 122.029 -0.419 . . . . 0.0 110.562 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.84 156.45 25.49 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.357 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.43 -175.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.27 0 C-N-CA 122.526 2.151 . . . . 0.0 112.766 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.5 m -89.98 -77.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.604 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 t -89.97 -64.67 1.1 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.405 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -158.54 -94.98 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 119.695 -0.193 . . . . 0.0 111.236 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.56 68.34 0.96 Allowed 'General case' 0 C--N 1.345 0.389 0 CA-C-N 118.502 0.592 . . . . 0.0 109.674 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 178.43 -37.13 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.921 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 3.3 mptp? -60.77 62.63 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -66.58 -21.78 66.14 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.649 -0.657 . . . . 0.0 111.32 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.48 -12.49 32.17 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 22.5 m-85 -89.21 146.89 24.46 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.137 0.426 . . . . 0.0 110.653 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 28' ' ' SER . 5.1 m -110.93 127.61 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -103.5 131.62 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.171 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.16 145.38 68.92 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -84.31 -14.78 6.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.939 1.759 . . . . 0.0 113.803 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -102.04 -44.43 5.47 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -99.63 -17.15 17.95 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 m 61.59 28.48 17.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.549 0.214 . . . . 0.0 111.263 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -90.52 160.71 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.7 m -122.05 139.52 53.6 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.189 0.518 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 19' ' ' VAL . 6.5 m -140.51 139.04 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.008 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.1 m -61.49 141.8 57.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.618 0.247 . . . . 0.0 110.759 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -70.77 -7.75 47.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -108.9 161.72 14.87 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.805 -0.559 . . . . 0.0 110.76 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -117.68 150.15 39.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 0.0 111.109 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -61.38 -33.04 73.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 p -60.41 -42.54 96.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -61.92 -47.01 86.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.19 -44.94 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.345 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -61.55 -19.88 62.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.747 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.31 -21.8 50.54 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -133.66 37.49 3.29 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.94 0.4 . . . . 0.0 110.306 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 55.03 65.27 1.54 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.648 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.75 -179.76 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -139.41 113.36 8.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.91 124.05 18.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.0 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -90.27 128.56 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.84 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.45 -15.03 62.32 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -79.63 -60.63 2.28 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.123 -0.36 . . . . 0.0 111.35 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 p -94.32 -12.46 27.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.7 m 64.93 40.45 5.31 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.129 0.49 . . . . 0.0 110.557 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.24 168.34 14.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.4 m -95.3 128.83 42.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.792 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -136.7 168.25 19.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -84.99 121.3 74.21 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.33 -24.11 14.67 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 121.814 1.676 . . . . 0.0 112.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -65.86 78.52 0.08 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.962 0.41 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.804 179.823 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.817 0.342 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.36 149.66 24.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.8 -176.5 5.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.596 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 63.81 46.59 3.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.235 0.54 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -89.76 139.41 27.77 Favored Pre-proline 0 N--CA 1.452 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -95.55 -164.35 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.094 1.862 . . . . 0.0 113.353 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -147.23 179.34 7.71 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.885 0.374 . . . . 0.0 111.524 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.77 -177.01 25.86 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.22 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.0 154.67 11.24 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 122.279 1.986 . . . . 0.0 113.105 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 m -91.13 -54.92 3.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.878 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.9 t -90.81 20.48 4.73 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.207 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 77.54 -53.61 0.53 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -89.31 -168.42 2.16 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.825 0.345 . . . . 0.0 111.727 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -80.88 61.41 4.49 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.41 0.624 . . . . 0.0 110.791 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -64.01 92.92 0.08 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 122.697 1.237 . . . . 0.0 111.549 -179.06 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -77.21 -35.47 55.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.331 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.35 -23.01 21.81 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 14.7 m-85 -89.0 143.9 26.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.807 0.337 . . . . 0.0 110.936 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.813 HG22 ' O ' ' A' ' 28' ' ' SER . 11.8 m -100.01 134.73 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -99.32 138.67 36.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.79 126.74 48.35 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.61 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.02 38.79 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.029 1.819 . . . . 0.0 114.9 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.578 ' HG3' HG23 ' A' ' 24' ' ' THR . 12.0 pt20 -148.77 -48.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.984 0.421 . . . . 0.0 109.873 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.578 HG23 ' HG3' ' A' ' 23' ' ' GLN . 63.4 p -100.53 -16.58 17.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.803 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 m 66.2 21.22 11.11 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -90.4 144.61 25.65 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.3 m -100.48 148.61 24.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 111.338 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.813 ' O ' HG22 ' A' ' 19' ' ' VAL . 4.6 m -140.11 132.72 28.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.523 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -57.43 141.23 48.12 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.023 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -58.09 -60.62 3.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.323 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.84 149.72 49.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.152 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -113.66 164.63 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.965 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.49 -34.57 75.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -50.53 73.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -57.01 -49.06 76.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.2 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.42 -45.33 94.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -61.01 -24.12 65.92 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.471 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.67 64.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.717 0.294 . . . . 0.0 111.27 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 36.9 4.53 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.053 0.454 . . . . 0.0 110.1 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.58 34.66 24.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.543 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 mt -112.55 165.43 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.195 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -134.09 114.61 13.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.228 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 tp -50.19 125.66 12.9 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -90.01 131.03 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.49 -19.41 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.57 -56.64 4.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.647 0.261 . . . . 0.0 111.607 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 p -96.85 -5.18 38.87 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.2 m 57.87 28.63 16.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.095 0.407 . . . . 0.0 111.361 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -112.17 178.39 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.146 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.35 133.76 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.287 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.53 147.14 46.19 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.57 106.55 30.57 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.671 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.39 -45.87 0.24 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.762 1.642 . . . . 0.0 113.107 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -73.65 66.37 1.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.221 0.534 . . . . 0.0 110.997 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.819 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.899 0.381 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -145.07 153.13 41.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 62.08 -157.27 0.33 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.007 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -173.5 16.32 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -151.65 162.5 26.52 Favored Pre-proline 0 N--CA 1.455 -0.193 0 CA-C-N 119.601 1.091 . . . . 0.0 109.252 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.9 4.02 6.86 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 121.654 1.569 . . . . 0.0 113.457 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.5 m -149.07 172.17 15.22 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 122.209 -0.307 . . . . 0.0 110.802 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.43 -170.27 25.76 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.721 -0.752 . . . . 0.0 113.083 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.4 156.44 6.63 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.673 2.248 . . . . 0.0 112.229 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m -90.27 -61.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.576 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 t -89.76 -93.14 0.12 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.261 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.15 -40.39 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.527 0.603 . . . . 0.0 111.344 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -144.83 12.89 1.47 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 54.5 mtm180 -138.21 55.7 1.75 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.503 0.668 . . . . 0.0 109.896 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -19.93 23.35 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.367 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -62.75 -19.06 63.59 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt -85.64 -30.63 23.08 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 5.0 m-85 -90.0 161.74 15.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.466 0.651 . . . . 0.0 112.288 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 28' ' ' SER . 6.1 m -114.52 135.86 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.737 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -99.66 131.28 45.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 111.437 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -82.88 142.4 44.96 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -89.58 36.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.442 2.095 . . . . 0.0 113.618 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -150.13 -49.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.094 0.473 . . . . 0.0 110.032 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.2 p -99.82 -18.16 17.31 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.635 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.3 m 63.13 25.02 14.71 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -90.37 149.7 22.18 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.07 139.42 35.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.809 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.5 p -140.89 134.32 29.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.97 137.14 21.7 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -10.09 59.45 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -94.3 165.32 12.64 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 121.931 -0.481 . . . . 0.0 110.74 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -125.15 148.0 48.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.191 0.519 . . . . 0.0 111.503 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -34.5 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.9 m -57.38 -50.01 74.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -57.8 -48.12 80.63 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.183 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -60.43 -23.45 64.4 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.411 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.47 -29.71 64.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 111.215 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HD2' HD12 ' A' ' 41' ' ' LEU . 6.5 ptp85 -121.87 40.02 3.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.055 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 54.92 36.45 26.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.272 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD12 ' HD2' ' A' ' 39' ' ' ARG . 79.8 mt -117.65 153.54 33.13 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.69 0.281 . . . . 0.0 110.298 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.47 123.65 46.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.539 ' OD1' HG22 ' A' ' 47' ' ' THR . 28.6 t-20 -90.15 126.9 35.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.59 -21.45 62.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -83.1 -56.5 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.539 HG22 ' OD1' ' A' ' 44' ' ' ASN . 7.1 t -91.12 -14.31 31.44 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.7 m 63.93 38.74 8.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 111.082 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -122.71 170.66 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.3 m -105.02 130.86 53.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' HD22 ' A' ' 41' ' ' LEU . 22.6 m-20 -130.22 154.42 47.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -96.34 138.85 21.51 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.867 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 80.32 1.42 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.845 1.697 . . . . 0.0 112.393 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.9 mtp85 -158.69 109.03 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.784 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -93.84 178.26 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -146.39 149.15 33.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.39 -172.32 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -149.94 94.58 3.77 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -85.35 -168.96 0.54 Allowed 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.092 1.861 . . . . 0.0 112.9 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 55.4 m -113.4 151.34 31.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.396 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.4 -164.02 35.82 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.472 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -86.79 151.96 8.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 122.414 2.076 . . . . 0.0 113.258 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.5 m -90.36 -48.68 6.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 p -59.45 -177.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.67 -35.42 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -129.33 -165.75 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -62.37 85.08 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.546 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -56.06 72.5 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -177.335 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -68.84 -41.79 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.53 -0.731 . . . . 0.0 110.547 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.8 mm? -69.19 -22.12 63.92 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.844 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.34 157.58 18.68 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.663 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 28' ' ' SER . 7.0 m -100.2 157.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -139.88 130.54 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 0.0 112.005 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.4 136.58 71.69 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.469 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -88.95 40.85 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.388 2.058 . . . . 0.0 113.302 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -149.57 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.404 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -105.69 -9.27 17.4 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.5 m 62.87 27.78 16.13 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 121.954 -0.466 . . . . 0.0 111.024 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 148.27 23.14 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -115.55 146.89 41.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.144 0.497 . . . . 0.0 111.915 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.684 ' O ' HG22 ' A' ' 19' ' ' VAL . 15.1 m -140.04 137.05 34.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.123 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.82 142.52 50.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.297 0.57 . . . . 0.0 111.558 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -65.41 -32.61 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.53 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -104.19 164.68 11.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.471 HG23 ' NH2' ' A' ' 35' ' ' ARG . 67.5 p -120.6 149.48 42.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.226 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.05 -33.39 75.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -57.55 -44.69 85.4 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' NH2' HG23 ' A' ' 32' ' ' THR . 50.0 mtm-85 -62.34 -42.8 99.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.254 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.5 m -62.87 -47.36 83.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.271 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -64.15 -18.08 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.891 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.14 69.16 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.28 . . . . 0.0 111.487 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -127.3 37.28 4.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.028 0.442 . . . . 0.0 110.647 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 54.75 66.66 1.18 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.85 -177.21 4.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -138.03 125.43 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.88 128.99 37.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -91.83 135.34 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.365 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.47 -16.86 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -81.47 -42.25 20.59 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.732 0.301 . . . . 0.0 111.756 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.3 p -111.4 -12.55 14.01 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.8 m 64.51 31.31 12.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -118.23 169.38 9.76 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 m -99.31 137.1 38.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 110.757 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -117.62 151.31 37.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.719 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -103.81 138.24 19.47 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.06 -168.46 0.38 Allowed 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.884 1.723 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -93.31 -55.55 3.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -67.06 91.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.794 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -163.23 -175.15 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.03 121.21 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -149.96 147.25 21.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.37 -0.45 10.21 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.883 1.722 . . . . 0.0 114.329 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.3 m -132.93 150.27 52.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.61 -171.47 24.65 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.367 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.94 160.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 122.482 2.121 . . . . 0.0 113.188 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 90.5 m -89.62 -55.83 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.264 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -85.41 179.35 7.18 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.59 36.69 1.65 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.585 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.94 -75.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.984 0.421 . . . . 0.0 110.23 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -134.58 48.98 2.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.523 0.677 . . . . 0.0 109.186 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -57.75 -16.66 11.86 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.069 -0.969 . . . . 0.0 113.523 -178.331 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -49.77 -25.21 2.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt -82.5 -6.13 59.13 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 15' ' ' LYS . 9.0 m-85 -89.35 152.12 21.69 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.982 -0.449 . . . . 0.0 111.428 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 28' ' ' SER . 3.5 m -101.14 121.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.044 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -99.73 125.84 45.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.409 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.72 142.74 98.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -83.23 -14.99 8.05 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.952 1.768 . . . . 0.0 113.916 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.508 ' HG3' HG23 ' A' ' 24' ' ' THR . 7.2 pt20 -108.86 -38.04 5.71 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 23' ' ' GLN . 53.9 p -106.41 -14.66 15.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 62.68 34.77 14.58 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 148.62 23.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.088 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.18 140.65 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 111.657 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.756 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -139.97 135.56 32.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.634 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 m -64.95 135.58 55.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.08 0.467 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -61.17 -30.9 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.792 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -106.74 166.06 10.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.9 p -122.71 151.17 41.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 111.365 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -46.8 77.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.318 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -61.64 -41.89 98.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.167 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -62.39 -47.74 82.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -20.7 65.95 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.999 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.43 69.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.748 0.308 . . . . 0.0 111.331 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -126.61 38.57 4.09 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 53.74 68.08 0.9 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.235 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -140.15 -178.73 5.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.48 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -139.65 126.89 21.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 tp -74.61 119.08 18.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.994 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -89.71 124.96 35.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.675 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.55 -8.43 41.53 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -79.76 -47.01 15.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.116 0.417 . . . . 0.0 111.359 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 p -114.2 -4.76 13.05 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m 63.14 32.31 15.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.791 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -117.38 170.62 8.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.0 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.5 m -102.71 140.3 37.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.596 0.236 . . . . 0.0 110.746 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -122.89 164.2 18.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.717 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -111.96 89.71 12.07 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.68 125.73 5.65 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.009 1.806 . . . . 0.0 112.483 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -147.3 105.37 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.742 0.306 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -155.18 102.94 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.778 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -138.04 32.09 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -173.9 129.52 0.4 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -107.45 99.54 28.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.29 -155.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 121.95 1.766 . . . . 0.0 113.343 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.6 m -113.34 153.67 28.13 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.779 0.323 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.95 -179.64 48.81 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.677 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -83.87 136.22 7.02 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.176 1.917 . . . . 0.0 112.944 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.4 m -91.28 -48.63 6.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.236 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -75.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.572 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -175.31 -85.09 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.794 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -150.63 -59.17 0.18 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.844 0.354 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -30.28 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.485 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 45.6 mmtm -65.73 69.24 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.29 -17.5 56.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.51 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.65 -12.83 25.78 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.426 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 21.3 m-85 -88.29 142.66 27.56 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.956 0.408 . . . . 0.0 110.599 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 28' ' ' SER . 7.6 m -105.89 131.1 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.318 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -99.81 134.34 42.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.415 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.62 136.51 34.8 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.766 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -89.5 32.81 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 122.448 2.098 . . . . 0.0 113.848 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.506 ' HG3' HG23 ' A' ' 24' ' ' THR . 7.7 pt20 -142.11 -49.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.237 0.541 . . . . 0.0 110.017 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 23' ' ' GLN . 50.6 p -103.79 -9.19 19.23 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.248 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m 61.97 15.95 7.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -90.21 143.58 26.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.0 m -103.04 149.94 24.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 111.741 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 19' ' ' VAL . 12.2 p -140.11 140.34 36.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.3 m -59.28 139.91 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HG2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -71.37 -11.13 60.74 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.49 165.59 11.17 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 122.034 -0.416 . . . . 0.0 110.479 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.7 p -121.13 146.35 46.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.88 -32.56 70.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.799 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -61.65 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -57.66 -50.48 73.04 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.27 -41.88 97.69 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.234 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.5 -19.61 66.0 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.326 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.42 -26.66 68.61 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.447 -0.158 . . . . 0.0 111.226 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.84 35.22 4.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 56.66 38.96 29.94 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.592 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.5 mt -111.56 172.94 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.515 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -133.97 116.46 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.162 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.41 116.17 3.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -89.82 126.45 35.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -73.37 -2.59 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.479 ' CD ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -80.32 -42.01 23.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.469 0.577 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' CD ' ' A' ' 46' ' ' ARG . 2.7 t -127.04 5.41 6.49 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 m 60.27 37.96 20.14 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.281 0.491 . . . . 0.0 111.343 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -117.46 173.22 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.303 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.9 m -107.86 128.72 54.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.782 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -99.76 142.68 30.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -112.41 93.45 22.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.154 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -82.55 111.62 2.06 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.012 1.808 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -113.51 95.9 5.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.785 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.808 0.337 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.9 ttt-85 -162.31 99.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -168.54 164.22 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -97.57 -178.13 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -139.42 86.23 14.49 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.74 -170.6 0.82 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.116 1.878 . . . . 0.0 112.819 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.2 m -130.86 150.83 51.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.297 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.2 -165.92 15.58 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.756 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.47 140.14 68.02 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.563 2.176 . . . . 0.0 112.934 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 m -89.51 -65.9 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.81 89.05 4.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.223 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 59.65 -168.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.92 32.31 5.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -124.23 -8.17 7.62 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.95 165.29 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -168.26 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.666 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.7 mm? -92.78 19.99 6.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.065 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.87 148.25 23.28 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 0.0 111.156 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 28' ' ' SER . 4.9 m -99.78 117.46 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -100.32 123.23 44.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -69.69 139.99 89.06 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -89.91 38.69 0.38 Allowed 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 122.445 2.096 . . . . 0.0 113.47 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.504 ' HG3' HG23 ' A' ' 24' ' ' THR . 11.4 pt20 -150.4 -48.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.087 0.47 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 23' ' ' GLN . 68.3 p -106.06 -13.44 15.46 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.115 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.0 m 63.66 37.98 9.77 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.153 -0.342 . . . . 0.0 111.236 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 142.27 27.92 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 75.8 m -108.91 138.98 44.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.197 0.522 . . . . 0.0 111.444 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.77 ' O ' HG22 ' A' ' 19' ' ' VAL . 16.1 m -140.26 137.68 34.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.209 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.84 136.41 57.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.403 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.8 -30.5 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.823 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -101.82 165.16 11.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -121.3 149.46 42.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.78 -34.27 77.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 p -56.85 -45.31 82.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.0 -42.13 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 110.145 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.54 -47.96 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.01 -18.87 65.67 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.816 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -28.0 68.78 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.291 -0.256 . . . . 0.0 111.267 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -126.52 37.99 4.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.012 0.434 . . . . 0.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.7 mp0 55.57 59.95 3.6 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.821 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 40' ' ' GLN . 31.9 mt -139.78 151.99 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -111.32 130.44 55.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 tp -70.75 124.04 23.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -90.07 127.33 36.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.978 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -72.62 -4.09 28.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -86.36 -43.04 13.17 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.978 -0.451 . . . . 0.0 111.393 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 p -119.66 -3.07 10.35 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.9 m 62.63 31.61 16.7 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.191 0.45 . . . . 0.0 110.994 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -115.49 173.55 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.919 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 m -100.79 138.25 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 0.0 110.791 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -138.77 -176.71 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.764 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.41 135.54 88.69 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.881 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.5 -57.32 0.22 Allowed 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 121.636 1.557 . . . . 0.0 112.505 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -148.3 -49.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.382 . . . . 0.0 110.717 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.796 0.331 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.85 32.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -105.93 -39.13 6.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -126.84 126.36 43.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -127.63 96.44 32.8 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -78.39 144.93 20.77 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.928 1.752 . . . . 0.0 112.405 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.7 m -117.06 143.89 45.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.612 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.39 170.15 53.22 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.287 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -50.41 173.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.305 2.003 . . . . 0.0 112.845 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.9 m -90.04 -87.67 0.18 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.1 t -90.6 -167.63 1.88 Allowed 'General case' 0 C--O 1.231 0.125 0 O-C-N 122.248 -0.282 . . . . 0.0 110.453 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -142.86 48.75 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.191 0.519 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -146.94 -75.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -141.28 37.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 133.67 9.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -166.83 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.354 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt -88.65 14.13 10.72 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.414 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -94.29 143.79 26.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 28' ' ' SER . 10.7 m -110.66 137.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.468 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -102.79 130.12 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 111.834 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -85.36 135.14 39.2 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.59 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -90.35 31.1 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.526 2.15 . . . . 0.0 113.604 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -135.29 -47.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.811 0.339 . . . . 0.0 110.329 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.0 p -109.59 -6.05 15.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m 62.48 14.27 6.84 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.205 0.457 . . . . 0.0 112.18 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -90.47 140.46 29.71 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -103.06 144.93 30.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.004 0.43 . . . . 0.0 111.357 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 19' ' ' VAL . 11.8 p -140.38 142.77 35.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.727 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.8 m -55.35 138.4 45.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.367 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -23.14 64.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -86.69 163.53 17.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.876 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.1 p -124.3 150.47 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.154 0.502 . . . . 0.0 111.483 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.85 -34.32 74.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.758 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -57.58 -49.48 76.27 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -57.93 -48.22 80.57 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.34 -45.08 94.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.519 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.18 -22.76 66.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -28.74 63.8 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 111.429 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -123.56 41.34 3.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.261 0.553 . . . . 0.0 109.806 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 52.29 38.22 24.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.12 168.93 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.02 122.92 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.37 123.38 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -89.85 127.28 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.77 -17.12 64.43 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -79.99 -60.64 2.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 111.715 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 p -90.73 -12.21 37.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.8 m 63.78 31.96 13.85 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 122.141 -0.349 . . . . 0.0 110.79 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -120.17 174.85 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -102.57 135.88 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.559 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -122.84 160.02 26.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -91.66 133.51 30.85 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.709 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.61 152.31 53.56 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.794 1.663 . . . . 0.0 112.394 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -161.08 91.5 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.796 0.332 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 60.88 157.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -101.83 -61.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.704 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -93.98 59.18 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.354 0.597 . . . . 0.0 110.637 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -150.19 87.22 5.01 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -56.74 179.28 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 121.872 1.715 . . . . 0.0 112.232 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -126.56 150.82 48.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.54 142.45 16.04 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.448 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.15 153.33 0.52 Allowed 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 122.828 2.352 . . . . 0.0 113.51 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -90.54 -57.17 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.784 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -78.44 -69.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -163.58 -164.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.585 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.81 -31.88 17.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.744 0.307 . . . . 0.0 110.809 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttm105 -87.33 -17.24 32.87 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 9.3 mmtp -68.51 65.18 0.11 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.162 0.506 . . . . 0.0 111.932 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -66.77 -25.27 66.4 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.71 -20.37 14.18 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 12.6 m-85 -88.81 142.66 27.48 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 28' ' ' SER . 5.9 m -104.38 122.42 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -99.85 128.6 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.6 142.7 86.52 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.14 -12.99 10.37 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.016 1.811 . . . . 0.0 113.787 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -104.97 -46.95 4.14 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -99.95 -17.04 17.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.2 m 64.14 33.64 11.72 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -90.62 155.4 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -117.95 137.98 52.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.267 0.556 . . . . 0.0 111.971 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.667 ' O ' HG22 ' A' ' 19' ' ' VAL . 7.2 m -140.2 135.43 32.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.874 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.79 139.58 57.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.783 0.325 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -68.97 -29.97 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -90.32 163.51 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -120.29 149.06 42.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 111.314 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.86 -31.66 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.698 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -60.25 -43.44 96.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.14 -46.04 90.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -62.38 -46.73 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.367 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -66.25 -18.35 65.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.819 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -27.17 69.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.591 0.234 . . . . 0.0 111.293 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -125.7 36.37 4.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 56.57 56.94 5.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 40' ' ' GLN . 54.9 mt -140.02 150.57 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.534 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.52 129.73 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.203 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -69.95 133.28 47.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -95.59 132.49 40.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.559 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -78.17 -17.23 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.85 -43.43 22.35 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 t -113.73 -10.47 13.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.4 m 65.54 33.34 8.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.089 -0.382 . . . . 0.0 110.814 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -118.2 168.17 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.037 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.4 m -98.94 141.63 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.752 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -120.98 163.22 18.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -115.97 128.74 25.74 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.568 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.72 -46.33 0.34 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.66 1.573 . . . . 0.0 112.663 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.86 -85.95 0.37 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.138 0 O-C-N 122.328 -0.232 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.756 0.312 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 60.29 30.22 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.51 -158.19 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.765 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 67.14 -152.27 0.2 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -150.36 -176.07 0.54 Allowed Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 118.63 0.65 . . . . 0.0 109.287 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -91.34 28.13 0.4 Allowed 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.128 1.886 . . . . 0.0 113.342 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -162.22 171.43 17.37 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.3 -177.92 37.29 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.57 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.75 152.75 13.19 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.047 1.831 . . . . 0.0 112.96 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.1 m -90.35 -55.72 3.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.461 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.5 t -91.41 37.53 0.95 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.207 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 67.86 -68.2 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.532 0.206 . . . . 0.0 111.508 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -146.26 -44.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -46.13 -27.23 0.91 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 20.2 pttm -37.14 133.45 0.65 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.5 m80 -178.47 -43.82 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.757 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.71 -16.33 57.38 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 152.83 21.27 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 28' ' ' SER . 15.8 m -100.03 138.7 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.929 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -99.32 134.86 41.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.24 142.06 35.44 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -89.54 33.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.448 2.098 . . . . 0.0 113.778 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -146.86 -49.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.095 0.474 . . . . 0.0 110.09 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -100.15 -18.73 16.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.58 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m 63.9 26.11 14.15 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -90.45 147.97 23.07 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.1 m -99.64 142.39 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.9 p -141.28 137.67 32.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.701 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.58 138.15 57.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -68.14 -53.2 26.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.402 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' HB3' HD11 ' A' ' 43' ' ' LEU . 52.7 t30 -58.43 161.33 4.53 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.72 0.295 . . . . 0.0 111.37 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.7 p -121.12 153.86 36.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 111.767 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.08 -33.18 68.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.01 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -60.64 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.849 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -51.68 66.84 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.539 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.5 m -60.65 -44.31 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.455 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -64.09 -22.43 66.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.483 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.68 -29.17 67.89 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.719 0.295 . . . . 0.0 111.083 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' HD2' HD12 ' A' ' 41' ' ' LEU . 13.3 ptp180 -120.62 36.31 4.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.968 0.414 . . . . 0.0 110.555 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 53.21 65.56 1.48 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.17 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.493 HD13 ' CB ' ' A' ' 50' ' ' CYS . 93.9 mt -140.61 -178.69 5.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.47 107.18 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 31' ' ' ASN . 2.7 tp -55.26 130.96 44.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.051 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -96.12 111.79 23.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -16.14 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -79.39 -50.46 10.8 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.8 p -103.54 -9.64 19.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.53 29.9 5.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.23 -0.294 . . . . 0.0 110.957 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -114.46 162.78 16.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.493 ' CB ' HD13 ' A' ' 41' ' ' LEU . 61.3 m -92.53 138.3 31.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' HD22 ' A' ' 41' ' ' LEU . 16.9 t70 -114.29 162.94 15.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 111.158 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -64.74 151.55 92.24 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.14 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.97 -168.55 0.64 Allowed 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 122.135 1.89 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.87 89.7 3.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.71 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.9 tpt85 -97.31 -53.92 3.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -170.5 -168.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 62.81 123.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.227 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -93.66 110.77 49.28 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.374 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -87.12 118.41 1.39 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.011 1.807 . . . . 0.0 113.656 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.0 m -108.61 135.01 50.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.736 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.6 131.38 10.75 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.571 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -43.01 142.83 2.08 Favored 'Trans proline' 0 C--N 1.363 1.302 0 C-N-CA 122.78 2.32 . . . . 0.0 113.665 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 m -90.56 -64.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.563 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.2 97.29 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.408 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -91.36 71.6 6.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.182 0.515 . . . . 0.0 111.289 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -150.15 -71.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.225 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -158.82 34.48 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.108 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.59 145.49 0.43 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -166.32 -45.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.064 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.687 HD22 ' HD3' ' A' ' 30' ' ' LYS . 27.4 mt -85.66 7.43 23.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.567 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -91.36 154.31 19.29 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 122.047 -0.408 . . . . 0.0 111.126 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 28' ' ' SER . 4.6 m -123.37 118.74 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -100.51 133.26 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 111.683 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.11 137.39 35.17 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.763 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.26 -4.41 13.12 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.919 1.746 . . . . 0.0 113.942 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -98.96 -50.32 4.23 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 117.799 0.272 . . . . 0.0 111.356 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -100.26 -11.04 20.7 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.8 m 61.75 26.88 16.4 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 117.887 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.96 178.27 6.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -140.25 139.22 35.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 19' ' ' VAL . 13.2 m -140.42 135.97 32.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.73 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m -58.78 141.03 54.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.787 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HD3' HD22 ' A' ' 17' ' ' LEU . 11.6 ptmt -71.76 -23.83 61.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -88.76 163.67 15.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.714 0.292 . . . . 0.0 111.091 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 p -123.32 152.86 41.02 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 111.489 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.1 -33.87 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.762 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.5 m -58.41 -47.68 83.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -60.31 -46.84 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.0 m -63.22 -46.34 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -64.1 -18.97 64.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.835 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.75 65.7 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -128.8 38.62 3.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.138 0.494 . . . . 0.0 110.464 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 55.46 59.57 3.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.779 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 40' ' ' GLN . 28.0 mt -139.58 153.93 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.539 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -114.2 125.74 54.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.05 121.74 16.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -89.98 125.69 35.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.755 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.65 -10.75 59.48 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -79.91 -53.38 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 122.019 -0.425 . . . . 0.0 111.361 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -104.24 -8.58 19.23 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.6 m 63.84 36.52 10.31 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -124.09 172.02 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.263 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.1 m -99.27 138.57 36.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.785 0.326 . . . . 0.0 110.794 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -137.83 -177.05 4.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.648 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.89 128.12 44.92 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.732 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.64 148.42 47.21 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.775 1.65 . . . . 0.0 112.35 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -152.37 24.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.625 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.155 0 C-N-CA 121.325 -0.15 . . . . 0.0 110.714 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.757 0.313 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 60.5 34.32 20.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -87.67 -31.87 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -127.15 171.17 11.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.754 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -123.88 87.62 52.8 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.29 176.08 8.41 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.058 1.839 . . . . 0.0 112.624 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.9 m -135.95 154.82 50.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.61 178.28 53.34 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 120.748 -0.739 . . . . 0.0 114.417 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -68.02 -175.18 0.73 Allowed 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.813 2.342 . . . . 0.0 112.871 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.6 m -90.59 -84.76 0.23 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 33.2 t -90.34 -162.36 0.89 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.448 0.166 . . . . 0.0 110.752 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -132.91 21.83 4.17 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -150.0 -70.52 0.19 Allowed 'General case' 0 CA--C 1.531 0.214 0 O-C-N 122.423 -0.173 . . . . 0.0 110.838 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -110.73 33.41 4.57 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.127 0.489 . . . . 0.0 110.26 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -49.1 -22.88 1.03 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.131 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -50.82 -23.57 2.87 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt -83.45 -9.87 58.73 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 15' ' ' LYS . 22.8 m-85 -88.92 162.11 16.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.158 0.504 . . . . 0.0 111.784 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 28' ' ' SER . 9.7 m -118.81 136.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.384 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.96 125.07 45.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 0.0 111.598 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.4 138.12 51.86 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.621 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -91.72 25.1 0.49 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 122.712 2.274 . . . . 0.0 113.053 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -121.21 -36.71 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 p -138.44 10.62 2.74 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m 54.63 25.38 6.32 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.093 -0.379 . . . . 0.0 111.819 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -90.32 145.54 24.89 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.96 144.68 31.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.165 0.507 . . . . 0.0 111.395 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 19' ' ' VAL . 41.2 t -140.35 142.51 35.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.641 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.34 138.21 58.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.647 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -63.26 -29.49 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.253 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -96.6 163.36 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -119.58 155.49 32.13 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 111.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.774 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -44.8 89.2 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -62.07 -45.07 95.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.447 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.3 m -62.08 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -65.79 -18.44 65.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.97 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.72 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.548 0.213 . . . . 0.0 111.426 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -129.01 39.3 3.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.98 0.419 . . . . 0.0 110.456 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.535 ' O ' HD23 ' A' ' 41' ' ' LEU . 24.2 mp0 55.37 59.3 4.01 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.888 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 40' ' ' GLN . 17.7 mt -140.07 152.94 46.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -115.21 128.47 56.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 49' ' ' ARG . 56.7 tp -70.48 121.53 17.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.78 126.82 35.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.92 -9.5 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -79.62 -54.43 5.89 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 121.953 -0.467 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -101.97 -8.51 21.46 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m 62.21 36.42 14.92 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 43' ' ' LEU . 41.2 mmm-85 -125.39 175.58 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.3 m -100.0 143.86 29.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.675 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -129.35 166.31 19.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.72 98.01 45.99 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.531 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -87.25 -72.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.145 1.897 . . . . 0.0 113.064 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -155.62 -134.87 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 119.038 -0.506 . . . . 0.0 109.778 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.347 0.466 0 CA-C-N 119.647 1.112 . . . . 0.0 110.664 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.1 mm? . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -93.84 166.16 12.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.451 0.643 . . . . 0.0 112.133 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 28' ' ' SER . 4.2 m -128.49 127.88 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.787 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -109.56 139.0 45.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.633 0.73 . . . . 0.0 112.298 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.41 142.55 24.99 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.504 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.16 -2.31 11.62 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.059 1.839 . . . . 0.0 114.166 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.65 -43.0 5.72 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 122.142 -0.349 . . . . 0.0 111.454 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 p -102.23 -18.49 15.47 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.0 m 63.94 17.94 10.88 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.288 0.368 . . . . 0.0 111.852 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -90.12 173.57 8.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.0 m -129.48 148.65 51.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.263 0.554 . . . . 0.0 112.043 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.75 ' O ' HG22 ' A' ' 19' ' ' VAL . 5.0 m -140.27 136.1 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.492 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.5 m -59.51 150.79 25.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.99 0.424 . . . . 0.0 111.68 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -74.08 -57.92 3.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.666 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -63.91 151.18 43.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.662 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 163.03 15.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.14 -33.25 71.9 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 m -59.97 -44.96 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -60.05 -49.32 78.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.6 m -61.81 -45.94 91.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -20.66 62.9 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.754 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.58 -24.38 60.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -128.61 37.93 4.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 110.334 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.489 ' O ' HD23 ' A' ' 41' ' ' LEU . 24.8 mp0 56.84 58.35 4.12 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.7 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 40' ' ' GLN . 48.8 mt -138.98 168.68 19.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -132.77 115.32 15.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.285 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 tp -58.65 127.75 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.272 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -97.46 130.34 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.05 -2.74 32.21 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -79.88 -49.86 11.33 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.468 0.577 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 t -117.53 -3.11 11.38 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m 64.95 55.52 1.16 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -139.89 166.47 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.99 140.97 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -89.89 173.04 8.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.402 0.62 . . . . 0.0 111.802 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' SER . 4.4 m -139.99 125.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.479 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.78 133.02 44.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 111.616 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.92 144.32 85.22 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.555 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.32 -16.22 10.95 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.878 1.719 . . . . 0.0 113.625 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -106.7 -38.43 6.12 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.5 p -99.88 -24.4 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m 63.03 26.61 15.54 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.445 0.164 . . . . 0.0 111.383 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 142.82 27.36 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.5 m -99.86 134.45 42.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.353 0.597 . . . . 0.0 111.836 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.458 ' O ' HG22 ' A' ' 19' ' ' VAL . 40.9 t -140.81 140.1 34.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.861 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.85 149.59 43.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.77 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -68.6 -58.51 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.472 ' O ' HD22 ' A' ' 43' ' ' LEU . 35.0 t-20 -70.15 145.23 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.481 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 p -107.91 164.49 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -35.75 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -57.9 -47.6 82.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -58.52 -48.81 79.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.4 m -59.71 -43.29 94.19 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.578 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -62.96 -23.0 67.21 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.51 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.63 64.73 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 111.17 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -122.91 36.36 4.66 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.158 0.504 . . . . 0.0 110.064 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 58.87 41.53 21.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.417 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.04 162.8 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -133.54 120.9 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 49' ' ' ARG . 59.2 tp -51.34 121.04 5.66 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -89.86 126.68 35.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.448 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.27 -6.22 33.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -79.61 -54.29 6.03 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.562 0.619 . . . . 0.0 110.694 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 49' ' ' ARG . 5.1 t -111.31 8.82 21.54 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m 55.37 26.15 8.41 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.085 0.402 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 43' ' ' LEU . 12.1 mmm180 -110.77 -177.88 3.34 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.571 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.92 135.75 40.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.6 mm? . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -96.72 145.29 25.93 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 28' ' ' SER . 6.6 m -106.17 130.27 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -100.23 136.46 40.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.676 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.43 134.85 28.82 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -89.68 39.4 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.386 2.057 . . . . 0.0 113.568 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -148.82 -49.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.233 0.54 . . . . 0.0 110.133 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 p -101.16 -12.78 18.49 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.035 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 64.3 11.96 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 145.2 25.08 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -113.22 148.84 34.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.14 0.495 . . . . 0.0 111.468 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' HG22 ' A' ' 19' ' ' VAL . 26.7 m -140.33 144.78 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.7 m -57.89 139.65 53.76 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -61.93 -57.58 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' HB3' HD13 ' A' ' 43' ' ' LEU . 11.0 t-20 -60.92 154.95 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -118.1 154.97 31.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.298 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.64 -35.38 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.954 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -57.61 -47.91 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -58.49 -46.81 85.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -61.27 -45.77 93.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.733 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -59.17 -23.25 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.609 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.09 52.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.71 0.291 . . . . 0.0 111.649 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -126.75 38.94 4.02 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 110.159 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 56.91 38.55 29.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.685 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.2 mt -119.36 161.87 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.316 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.16 120.03 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.967 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 31' ' ' ASN . 66.3 tp -50.74 135.97 22.71 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.627 ' OD1' HG22 ' A' ' 47' ' ' THR . 25.2 t-20 -97.14 130.01 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.099 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.95 -22.5 61.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 mtt85 -79.84 -56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.627 HG22 ' OD1' ' A' ' 44' ' ' ASN . 5.1 t -95.63 -8.36 35.08 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 m 61.43 30.94 19.14 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.043 -0.41 . . . . 0.0 110.986 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -114.75 176.2 5.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.6 m -101.24 130.85 47.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.697 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.333 -0.127 0 CA-C-O 120.852 0.358 . . . . 0.0 110.787 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.0 mp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -104.94 147.02 28.22 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.736 0.303 . . . . 0.0 110.549 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 28' ' ' SER . 4.4 m -119.43 124.77 73.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -99.86 139.46 35.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.95 0.405 . . . . 0.0 111.419 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.62 144.91 34.16 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.742 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -83.67 -12.53 8.71 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.017 1.811 . . . . 0.0 113.812 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -102.23 -46.85 4.7 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 p -99.84 -16.05 18.19 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m 62.73 18.91 11.03 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -90.24 139.99 30.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -103.22 143.81 32.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.456 . . . . 0.0 111.683 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 19' ' ' VAL . 5.2 p -140.01 138.17 35.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.455 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -57.33 141.01 48.48 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -58.83 6.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -61.36 155.29 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.494 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.0 p -118.38 153.11 34.58 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.482 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.62 -34.49 72.84 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.87 84.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -59.72 -46.65 88.47 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.93 0.395 . . . . 0.0 110.815 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.6 m -60.61 -42.64 97.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 110.471 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.19 -21.93 66.54 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.254 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.07 -26.21 64.43 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.302 -0.249 . . . . 0.0 111.271 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -122.8 37.5 4.39 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 55.58 33.91 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.953 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 mt -109.71 171.19 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.419 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.61 111.62 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.286 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -52.21 138.71 25.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 112.376 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -105.45 114.08 28.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.79 -16.32 27.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -79.78 -57.62 3.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.078 -0.389 . . . . 0.0 112.023 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 t -96.05 -9.31 31.23 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 m 65.18 33.95 8.93 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.993 0.425 . . . . 0.0 110.504 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 169.46 9.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 m -102.53 136.24 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.72 179.801 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 120.794 0.331 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -133.09 176.65 8.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 0.0 111.602 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 28' ' ' SER . 7.8 m -138.85 129.71 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.798 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -106.03 135.84 46.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.292 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.85 146.11 51.66 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.678 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -85.14 -19.31 3.85 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.977 1.785 . . . . 0.0 113.637 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -105.58 -25.13 12.41 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.5 p -115.44 -22.74 9.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.1 m 60.88 27.03 16.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.533 0.206 . . . . 0.0 111.246 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -90.18 139.51 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.0 m -100.14 137.86 38.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.299 0.571 . . . . 0.0 112.338 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.764 ' O ' HG22 ' A' ' 19' ' ' VAL . 40.0 t -140.65 141.39 35.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.751 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -60.9 152.04 28.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -49.33 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.032 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.87 148.29 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.907 0.384 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -108.62 155.83 20.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.27 -32.77 71.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.62 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.2 mtt85 -59.55 -49.96 75.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.22 -40.01 94.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.252 0.549 . . . . 0.0 110.262 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -64.51 -19.45 65.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.332 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.21 -21.5 65.18 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.214 -0.304 . . . . 0.0 111.698 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -128.03 31.72 5.04 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 56.94 61.5 2.58 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.253 0.549 . . . . 0.0 111.735 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' ' 50' ' ' CYS . 88.3 mt -134.65 -176.9 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.417 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -139.41 105.4 5.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -54.31 123.2 12.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.891 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -90.8 127.92 36.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.757 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.66 -15.23 62.71 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -79.89 -62.88 1.55 Allowed 'General case' 0 N--CA 1.461 0.099 0 O-C-N 122.123 -0.361 . . . . 0.0 111.175 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 t -91.71 -11.13 37.74 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m 65.08 34.85 8.41 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -118.1 173.69 6.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' HD13 ' A' ' 41' ' ' LEU . 48.3 m -100.13 127.52 46.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.331 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 -179.687 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.86 162.71 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.216 0.531 . . . . 0.0 111.725 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 28' ' ' SER . 13.2 m -106.62 138.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.389 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -105.41 138.5 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.061 0.458 . . . . 0.0 112.062 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -91.6 145.08 30.55 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.441 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -85.7 -11.56 6.79 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.173 1.915 . . . . 0.0 114.141 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.483 ' HG3' HG23 ' A' ' 24' ' ' THR . 3.0 pt20 -100.14 -36.8 9.2 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.483 HG23 ' HG3' ' A' ' 23' ' ' GLN . 71.5 p -109.07 -18.68 13.6 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.7 m 63.78 17.55 10.56 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.4 155.49 18.91 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 122.263 -0.273 . . . . 0.0 110.295 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.4 m -111.05 141.26 44.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.194 0.521 . . . . 0.0 111.493 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 19' ' ' VAL . 7.3 m -140.69 140.71 34.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.216 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.1 m -54.99 143.12 27.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 112.083 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -53.58 9.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.873 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -64.43 156.67 28.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.5 p -115.66 155.73 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.087 0.47 . . . . 0.0 111.416 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.17 -33.64 72.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.746 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -58.64 -45.59 88.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.35 -47.22 86.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.75 -44.97 95.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.885 0.374 . . . . 0.0 110.322 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -22.55 65.0 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.314 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -26.3 63.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.291 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -123.55 37.25 4.46 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.164 0.507 . . . . 0.0 109.931 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 55.81 33.3 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.996 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 51' ' ' ASP . 44.2 mt -109.48 164.79 12.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -130.02 111.82 12.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 49' ' ' ARG . 61.6 tp -51.38 122.94 8.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.279 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -92.05 126.4 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.978 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.13 -8.3 44.2 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -79.86 -53.95 6.29 Favored 'General case' 0 C--O 1.231 0.127 0 O-C-N 121.976 -0.453 . . . . 0.0 111.129 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.5 t -110.35 2.04 18.82 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.4 m 58.69 30.03 19.4 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 122.063 -0.398 . . . . 0.0 111.446 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 43' ' ' LEU . 4.1 mmp_? -111.94 175.5 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.176 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.7 m -97.2 132.73 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.678 0.275 . . . . 0.0 110.449 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.517 ' O ' HD22 ' A' ' 41' ' ' LEU . 18.7 t70 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.025 0.441 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -92.2 145.98 24.07 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 28' ' ' SER . 7.7 m -107.54 133.45 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -99.62 136.43 39.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 111.606 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.14 136.42 27.3 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.21 32.52 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.506 2.137 . . . . 0.0 113.312 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -137.37 -48.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 110.172 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.9 p -108.3 -8.04 15.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.22 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.72 12.9 6.99 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 144.41 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 m -106.11 149.49 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 111.414 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' HG22 ' A' ' 19' ' ' VAL . 21.4 p -139.97 144.92 37.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.587 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -59.72 137.83 57.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.74 -10.24 59.24 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -90.3 167.09 12.93 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.081 -0.387 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -123.47 143.82 49.91 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.085 0.469 . . . . 0.0 111.314 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.53 -32.5 72.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.715 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 m -59.99 -44.77 94.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -60.59 -47.53 85.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -62.9 -46.88 85.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.936 0.398 . . . . 0.0 110.428 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -64.45 -20.55 66.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.664 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.01 67.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.574 0.226 . . . . 0.0 111.135 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -126.07 37.12 4.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.619 ' O ' HD23 ' A' ' 41' ' ' LEU . 4.0 mp0 56.35 59.49 3.62 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.64 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 40' ' ' GLN . 34.4 mt -140.19 156.65 46.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.56 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -116.86 120.53 38.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.51 120.36 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -90.01 123.06 33.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.652 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -73.12 -6.86 48.47 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -48.4 13.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 122.012 -0.43 . . . . 0.0 110.266 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 t -115.14 -3.11 12.6 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 m 63.13 33.78 14.19 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.914 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -118.08 170.03 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.337 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.9 m -100.65 128.26 46.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.73 0.3 . . . . 0.0 110.473 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.247 -179.624 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.529 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.6 mm? . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -98.39 158.42 15.59 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 28' ' ' SER . 5.6 m -126.54 127.09 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.941 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -99.84 136.51 39.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.052 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.38 140.28 30.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.11 34.91 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.715 2.277 . . . . 0.0 113.172 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -142.52 -50.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.14 0.495 . . . . 0.0 109.847 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -102.59 -12.71 17.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.162 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.37 15.02 8.37 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -90.42 139.89 30.24 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.197 -0.314 . . . . 0.0 110.316 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.5 m -105.05 143.17 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 19' ' ' VAL . 8.7 p -140.68 142.47 34.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.994 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.9 m -64.34 131.82 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.931 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -47.56 83.22 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.491 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.78 149.1 49.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 111.117 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -113.2 157.02 22.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.15 -33.06 70.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.874 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.6 m -61.15 -45.56 94.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.679 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.8 -51.22 70.48 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.216 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.4 m -61.87 -45.99 91.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -58.11 -21.42 46.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.56 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.9 -23.18 60.82 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -128.03 35.4 4.46 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.014 0.435 . . . . 0.0 110.147 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 57.02 38.94 29.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.713 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -110.22 177.68 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.329 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -139.6 105.11 5.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 111.497 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 49' ' ' ARG . 47.7 tp -50.3 119.26 3.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.265 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -89.94 122.99 33.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.896 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.43 -10.55 45.12 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -79.74 -55.77 4.76 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 121.986 -0.446 . . . . 0.0 111.371 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 t -106.13 1.11 25.99 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m 59.36 29.91 19.54 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 122.01 -0.431 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 43' ' ' LEU . 68.6 mtp85 -112.04 173.31 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -100.05 128.82 46.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 111.017 -179.833 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 CA--C 1.537 0.443 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -89.21 146.89 24.46 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.137 0.426 . . . . 0.0 110.653 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 28' ' ' SER . 5.1 m -110.93 127.61 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -103.5 131.62 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.171 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.16 145.38 68.92 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -84.31 -14.78 6.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.939 1.759 . . . . 0.0 113.803 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -102.04 -44.43 5.47 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -99.63 -17.15 17.95 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 m 61.59 28.48 17.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.549 0.214 . . . . 0.0 111.263 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -90.52 160.71 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.7 m -122.05 139.52 53.6 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.189 0.518 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 19' ' ' VAL . 6.5 m -140.51 139.04 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.008 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.1 m -61.49 141.8 57.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.618 0.247 . . . . 0.0 110.759 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -70.77 -7.75 47.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -108.9 161.72 14.87 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.805 -0.559 . . . . 0.0 110.76 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -117.68 150.15 39.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 0.0 111.109 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -61.38 -33.04 73.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 p -60.41 -42.54 96.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -61.92 -47.01 86.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.19 -44.94 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.345 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -61.55 -19.88 62.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.747 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.31 -21.8 50.54 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -133.66 37.49 3.29 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.94 0.4 . . . . 0.0 110.306 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 55.03 65.27 1.54 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.648 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.75 -179.76 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -139.41 113.36 8.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.91 124.05 18.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.0 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -90.27 128.56 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.84 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.45 -15.03 62.32 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -79.63 -60.63 2.28 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.123 -0.36 . . . . 0.0 111.35 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 p -94.32 -12.46 27.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.7 m 64.93 40.45 5.31 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.129 0.49 . . . . 0.0 110.557 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.24 168.34 14.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.4 m -95.3 128.83 42.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.792 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.887 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -89.0 143.9 26.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.807 0.337 . . . . 0.0 110.936 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.813 HG22 ' O ' ' A' ' 28' ' ' SER . 11.8 m -100.01 134.73 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -99.32 138.67 36.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.79 126.74 48.35 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.61 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.02 38.79 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.029 1.819 . . . . 0.0 114.9 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.578 ' HG3' HG23 ' A' ' 24' ' ' THR . 12.0 pt20 -148.77 -48.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.984 0.421 . . . . 0.0 109.873 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.578 HG23 ' HG3' ' A' ' 23' ' ' GLN . 63.4 p -100.53 -16.58 17.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.803 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 m 66.2 21.22 11.11 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -90.4 144.61 25.65 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.3 m -100.48 148.61 24.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 111.338 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.813 ' O ' HG22 ' A' ' 19' ' ' VAL . 4.6 m -140.11 132.72 28.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.523 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -57.43 141.23 48.12 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.023 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -58.09 -60.62 3.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.323 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.84 149.72 49.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.152 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -113.66 164.63 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.965 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.49 -34.57 75.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -50.53 73.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -57.01 -49.06 76.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.2 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.42 -45.33 94.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -61.01 -24.12 65.92 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.471 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.67 64.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.717 0.294 . . . . 0.0 111.27 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 36.9 4.53 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.053 0.454 . . . . 0.0 110.1 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.58 34.66 24.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.543 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 mt -112.55 165.43 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.195 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -134.09 114.61 13.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.228 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 tp -50.19 125.66 12.9 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -90.01 131.03 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.49 -19.41 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.57 -56.64 4.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.647 0.261 . . . . 0.0 111.607 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 p -96.85 -5.18 38.87 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.2 m 57.87 28.63 16.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.095 0.407 . . . . 0.0 111.361 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -112.17 178.39 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.146 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.35 133.76 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.287 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.462 0.154 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.146 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.231 0.114 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -90.0 161.74 15.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.466 0.651 . . . . 0.0 112.288 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 28' ' ' SER . 6.1 m -114.52 135.86 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.737 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -99.66 131.28 45.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 111.437 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -82.88 142.4 44.96 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -89.58 36.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.442 2.095 . . . . 0.0 113.618 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -150.13 -49.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.094 0.473 . . . . 0.0 110.032 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.2 p -99.82 -18.16 17.31 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.635 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.3 m 63.13 25.02 14.71 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -90.37 149.7 22.18 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.07 139.42 35.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.809 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.5 p -140.89 134.32 29.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.97 137.14 21.7 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -10.09 59.45 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -94.3 165.32 12.64 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 121.931 -0.481 . . . . 0.0 110.74 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -125.15 148.0 48.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.191 0.519 . . . . 0.0 111.503 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -34.5 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.9 m -57.38 -50.01 74.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -57.8 -48.12 80.63 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.183 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -60.43 -23.45 64.4 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.411 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.47 -29.71 64.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 111.215 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HD2' HD12 ' A' ' 41' ' ' LEU . 6.5 ptp85 -121.87 40.02 3.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.055 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 54.92 36.45 26.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.272 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD12 ' HD2' ' A' ' 39' ' ' ARG . 79.8 mt -117.65 153.54 33.13 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.69 0.281 . . . . 0.0 110.298 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.47 123.65 46.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.539 ' OD1' HG22 ' A' ' 47' ' ' THR . 28.6 t-20 -90.15 126.9 35.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.59 -21.45 62.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -83.1 -56.5 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.539 HG22 ' OD1' ' A' ' 44' ' ' ASN . 7.1 t -91.12 -14.31 31.44 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.7 m 63.93 38.74 8.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 111.082 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -122.71 170.66 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.3 m -105.02 130.86 53.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' HD22 ' A' ' 41' ' ' LEU . 22.6 m-20 . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.8 mm? . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.34 157.58 18.68 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.663 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 28' ' ' SER . 7.0 m -100.2 157.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -139.88 130.54 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 0.0 112.005 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.4 136.58 71.69 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.469 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -88.95 40.85 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.388 2.058 . . . . 0.0 113.302 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -149.57 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.404 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -105.69 -9.27 17.4 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.5 m 62.87 27.78 16.13 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 121.954 -0.466 . . . . 0.0 111.024 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 148.27 23.14 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -115.55 146.89 41.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.144 0.497 . . . . 0.0 111.915 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.684 ' O ' HG22 ' A' ' 19' ' ' VAL . 15.1 m -140.04 137.05 34.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.123 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.82 142.52 50.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.297 0.57 . . . . 0.0 111.558 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -65.41 -32.61 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.53 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -104.19 164.68 11.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.471 HG23 ' NH2' ' A' ' 35' ' ' ARG . 67.5 p -120.6 149.48 42.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.226 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.05 -33.39 75.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -57.55 -44.69 85.4 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' NH2' HG23 ' A' ' 32' ' ' THR . 50.0 mtm-85 -62.34 -42.8 99.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.254 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.5 m -62.87 -47.36 83.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.271 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -64.15 -18.08 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.891 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.14 69.16 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.28 . . . . 0.0 111.487 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -127.3 37.28 4.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.028 0.442 . . . . 0.0 110.647 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 54.75 66.66 1.18 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.85 -177.21 4.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -138.03 125.43 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.88 128.99 37.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -91.83 135.34 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.365 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.47 -16.86 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -81.47 -42.25 20.59 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.732 0.301 . . . . 0.0 111.756 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.3 p -111.4 -12.55 14.01 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.8 m 64.51 31.31 12.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -118.23 169.38 9.76 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 m -99.31 137.1 38.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 110.757 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.719 179.84 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.35 152.12 21.69 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.982 -0.449 . . . . 0.0 111.428 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 28' ' ' SER . 3.5 m -101.14 121.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.044 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -99.73 125.84 45.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.409 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.72 142.74 98.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -83.23 -14.99 8.05 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.952 1.768 . . . . 0.0 113.916 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.508 ' HG3' HG23 ' A' ' 24' ' ' THR . 7.2 pt20 -108.86 -38.04 5.71 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 23' ' ' GLN . 53.9 p -106.41 -14.66 15.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 62.68 34.77 14.58 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 148.62 23.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.088 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.18 140.65 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 111.657 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.756 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -139.97 135.56 32.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.634 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 m -64.95 135.58 55.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.08 0.467 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -61.17 -30.9 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.792 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -106.74 166.06 10.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.9 p -122.71 151.17 41.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 111.365 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -46.8 77.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.318 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -61.64 -41.89 98.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.167 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -62.39 -47.74 82.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -20.7 65.95 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.999 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.43 69.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.748 0.308 . . . . 0.0 111.331 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -126.61 38.57 4.09 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 53.74 68.08 0.9 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.235 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -140.15 -178.73 5.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.48 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -139.65 126.89 21.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 tp -74.61 119.08 18.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.994 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -89.71 124.96 35.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.675 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.55 -8.43 41.53 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -79.76 -47.01 15.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.116 0.417 . . . . 0.0 111.359 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 p -114.2 -4.76 13.05 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m 63.14 32.31 15.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.791 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -117.38 170.62 8.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.0 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.5 m -102.71 140.3 37.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.596 0.236 . . . . 0.0 110.746 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.717 179.841 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -88.29 142.66 27.56 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.956 0.408 . . . . 0.0 110.599 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 28' ' ' SER . 7.6 m -105.89 131.1 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.318 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -99.81 134.34 42.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.415 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.62 136.51 34.8 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.766 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -89.5 32.81 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 122.448 2.098 . . . . 0.0 113.848 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.506 ' HG3' HG23 ' A' ' 24' ' ' THR . 7.7 pt20 -142.11 -49.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.237 0.541 . . . . 0.0 110.017 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 23' ' ' GLN . 50.6 p -103.79 -9.19 19.23 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.248 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m 61.97 15.95 7.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -90.21 143.58 26.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.0 m -103.04 149.94 24.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 111.741 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 19' ' ' VAL . 12.2 p -140.11 140.34 36.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.3 m -59.28 139.91 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HG2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -71.37 -11.13 60.74 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.49 165.59 11.17 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 122.034 -0.416 . . . . 0.0 110.479 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.7 p -121.13 146.35 46.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.88 -32.56 70.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.799 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -61.65 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -57.66 -50.48 73.04 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.27 -41.88 97.69 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.234 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.5 -19.61 66.0 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.326 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.42 -26.66 68.61 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.447 -0.158 . . . . 0.0 111.226 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.84 35.22 4.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 56.66 38.96 29.94 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.592 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.5 mt -111.56 172.94 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.515 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -133.97 116.46 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.162 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.41 116.17 3.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -89.82 126.45 35.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -73.37 -2.59 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.479 ' CD ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -80.32 -42.01 23.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.469 0.577 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' CD ' ' A' ' 46' ' ' ARG . 2.7 t -127.04 5.41 6.49 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 m 60.27 37.96 20.14 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.281 0.491 . . . . 0.0 111.343 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -117.46 173.22 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.303 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.9 m -107.86 128.72 54.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.782 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.836 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.7 mm? . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.87 148.25 23.28 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 0.0 111.156 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 28' ' ' SER . 4.9 m -99.78 117.46 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -100.32 123.23 44.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -69.69 139.99 89.06 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -89.91 38.69 0.38 Allowed 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 122.445 2.096 . . . . 0.0 113.47 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.504 ' HG3' HG23 ' A' ' 24' ' ' THR . 11.4 pt20 -150.4 -48.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.087 0.47 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 23' ' ' GLN . 68.3 p -106.06 -13.44 15.46 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.115 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.0 m 63.66 37.98 9.77 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.153 -0.342 . . . . 0.0 111.236 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 142.27 27.92 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 75.8 m -108.91 138.98 44.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.197 0.522 . . . . 0.0 111.444 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.77 ' O ' HG22 ' A' ' 19' ' ' VAL . 16.1 m -140.26 137.68 34.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.209 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.84 136.41 57.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.403 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.8 -30.5 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.823 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -101.82 165.16 11.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -121.3 149.46 42.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.78 -34.27 77.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 p -56.85 -45.31 82.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.0 -42.13 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 110.145 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.54 -47.96 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.01 -18.87 65.67 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.816 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -28.0 68.78 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.291 -0.256 . . . . 0.0 111.267 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -126.52 37.99 4.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.012 0.434 . . . . 0.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.477 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.7 mp0 55.57 59.95 3.6 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.821 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 40' ' ' GLN . 31.9 mt -139.78 151.99 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -111.32 130.44 55.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 tp -70.75 124.04 23.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -90.07 127.33 36.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.978 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -72.62 -4.09 28.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -86.36 -43.04 13.17 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.978 -0.451 . . . . 0.0 111.393 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 p -119.66 -3.07 10.35 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.9 m 62.63 31.61 16.7 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.191 0.45 . . . . 0.0 110.994 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -115.49 173.55 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.919 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 m -100.79 138.25 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 0.0 110.791 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.764 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -94.29 143.79 26.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 28' ' ' SER . 10.7 m -110.66 137.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.468 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -102.79 130.12 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 111.834 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -85.36 135.14 39.2 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.59 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -90.35 31.1 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.526 2.15 . . . . 0.0 113.604 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -135.29 -47.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.811 0.339 . . . . 0.0 110.329 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.0 p -109.59 -6.05 15.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m 62.48 14.27 6.84 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.205 0.457 . . . . 0.0 112.18 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -90.47 140.46 29.71 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -103.06 144.93 30.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.004 0.43 . . . . 0.0 111.357 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 19' ' ' VAL . 11.8 p -140.38 142.77 35.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.727 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.8 m -55.35 138.4 45.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.367 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -23.14 64.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -86.69 163.53 17.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.876 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.1 p -124.3 150.47 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.154 0.502 . . . . 0.0 111.483 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.85 -34.32 74.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.758 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -57.58 -49.48 76.27 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -57.93 -48.22 80.57 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.34 -45.08 94.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.519 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.18 -22.76 66.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -28.74 63.8 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 111.429 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -123.56 41.34 3.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.261 0.553 . . . . 0.0 109.806 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 52.29 38.22 24.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.12 168.93 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.02 122.92 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.37 123.38 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -89.85 127.28 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.77 -17.12 64.43 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -79.99 -60.64 2.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 111.715 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 p -90.73 -12.21 37.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.8 m 63.78 31.96 13.85 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 122.141 -0.349 . . . . 0.0 110.79 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -120.17 174.85 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -102.57 135.88 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.559 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.816 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -88.81 142.66 27.48 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 28' ' ' SER . 5.9 m -104.38 122.42 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -99.85 128.6 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.6 142.7 86.52 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.14 -12.99 10.37 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.016 1.811 . . . . 0.0 113.787 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -104.97 -46.95 4.14 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -99.95 -17.04 17.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.2 m 64.14 33.64 11.72 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -90.62 155.4 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -117.95 137.98 52.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.267 0.556 . . . . 0.0 111.971 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.667 ' O ' HG22 ' A' ' 19' ' ' VAL . 7.2 m -140.2 135.43 32.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.874 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.79 139.58 57.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.783 0.325 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -68.97 -29.97 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -90.32 163.51 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -120.29 149.06 42.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 111.314 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.86 -31.66 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.698 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -60.25 -43.44 96.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.14 -46.04 90.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -62.38 -46.73 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.367 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -66.25 -18.35 65.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.819 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -27.17 69.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.591 0.234 . . . . 0.0 111.293 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -125.7 36.37 4.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 56.57 56.94 5.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 40' ' ' GLN . 54.9 mt -140.02 150.57 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.534 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.52 129.73 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.203 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -69.95 133.28 47.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -95.59 132.49 40.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.559 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -78.17 -17.23 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.85 -43.43 22.35 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 t -113.73 -10.47 13.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.4 m 65.54 33.34 8.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.089 -0.382 . . . . 0.0 110.814 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -118.2 168.17 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.037 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.4 m -98.94 141.63 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.752 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 152.83 21.27 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 28' ' ' SER . 15.8 m -100.03 138.7 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.929 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -99.32 134.86 41.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.24 142.06 35.44 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -89.54 33.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.448 2.098 . . . . 0.0 113.778 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -146.86 -49.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.095 0.474 . . . . 0.0 110.09 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -100.15 -18.73 16.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.58 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m 63.9 26.11 14.15 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -90.45 147.97 23.07 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.1 m -99.64 142.39 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.9 p -141.28 137.67 32.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.701 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.58 138.15 57.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -68.14 -53.2 26.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.402 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' HB3' HD11 ' A' ' 43' ' ' LEU . 52.7 t30 -58.43 161.33 4.53 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.72 0.295 . . . . 0.0 111.37 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.7 p -121.12 153.86 36.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 111.767 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.08 -33.18 68.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.01 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -60.64 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.849 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -51.68 66.84 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.539 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.5 m -60.65 -44.31 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.455 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -64.09 -22.43 66.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.483 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.68 -29.17 67.89 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.719 0.295 . . . . 0.0 111.083 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' HD2' HD12 ' A' ' 41' ' ' LEU . 13.3 ptp180 -120.62 36.31 4.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.968 0.414 . . . . 0.0 110.555 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 53.21 65.56 1.48 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.17 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.493 HD13 ' CB ' ' A' ' 50' ' ' CYS . 93.9 mt -140.61 -178.69 5.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.47 107.18 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 31' ' ' ASN . 2.7 tp -55.26 130.96 44.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.051 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -96.12 111.79 23.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -16.14 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -79.39 -50.46 10.8 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.8 p -103.54 -9.64 19.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.53 29.9 5.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.23 -0.294 . . . . 0.0 110.957 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -114.46 162.78 16.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.493 ' CB ' HD13 ' A' ' 41' ' ' LEU . 61.3 m -92.53 138.3 31.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' HD22 ' A' ' 41' ' ' LEU . 16.9 t70 . . . . . 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 111.158 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.687 HD22 ' HD3' ' A' ' 30' ' ' LYS . 27.4 mt . . . . . 0 CA--C 1.538 0.507 0 N-CA-C 112.567 0.581 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -91.36 154.31 19.29 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 122.047 -0.408 . . . . 0.0 111.126 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 28' ' ' SER . 4.6 m -123.37 118.74 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -100.51 133.26 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 111.683 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.11 137.39 35.17 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.763 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.26 -4.41 13.12 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.919 1.746 . . . . 0.0 113.942 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -98.96 -50.32 4.23 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 117.799 0.272 . . . . 0.0 111.356 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -100.26 -11.04 20.7 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.8 m 61.75 26.88 16.4 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 117.887 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.96 178.27 6.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -140.25 139.22 35.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 19' ' ' VAL . 13.2 m -140.42 135.97 32.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.73 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m -58.78 141.03 54.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.787 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HD3' HD22 ' A' ' 17' ' ' LEU . 11.6 ptmt -71.76 -23.83 61.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -88.76 163.67 15.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.714 0.292 . . . . 0.0 111.091 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 p -123.32 152.86 41.02 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 111.489 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.1 -33.87 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.762 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.5 m -58.41 -47.68 83.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -60.31 -46.84 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.0 m -63.22 -46.34 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -64.1 -18.97 64.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.835 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.75 65.7 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -128.8 38.62 3.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.138 0.494 . . . . 0.0 110.464 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 55.46 59.57 3.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.779 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 40' ' ' GLN . 28.0 mt -139.58 153.93 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.539 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -114.2 125.74 54.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.05 121.74 16.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -89.98 125.69 35.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.755 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.65 -10.75 59.48 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -79.91 -53.38 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 122.019 -0.425 . . . . 0.0 111.361 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -104.24 -8.58 19.23 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.6 m 63.84 36.52 10.31 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -124.09 172.02 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.263 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.1 m -99.27 138.57 36.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.785 0.326 . . . . 0.0 110.794 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.648 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -88.92 162.11 16.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.158 0.504 . . . . 0.0 111.784 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 28' ' ' SER . 9.7 m -118.81 136.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.384 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.96 125.07 45.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 0.0 111.598 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.4 138.12 51.86 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.621 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -91.72 25.1 0.49 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 122.712 2.274 . . . . 0.0 113.053 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -121.21 -36.71 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 p -138.44 10.62 2.74 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m 54.63 25.38 6.32 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.093 -0.379 . . . . 0.0 111.819 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -90.32 145.54 24.89 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.96 144.68 31.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.165 0.507 . . . . 0.0 111.395 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 19' ' ' VAL . 41.2 t -140.35 142.51 35.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.641 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.34 138.21 58.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.647 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -63.26 -29.49 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.253 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -96.6 163.36 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -119.58 155.49 32.13 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 111.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.774 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -44.8 89.2 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -62.07 -45.07 95.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.447 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.3 m -62.08 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -65.79 -18.44 65.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.97 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.72 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.548 0.213 . . . . 0.0 111.426 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -129.01 39.3 3.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.98 0.419 . . . . 0.0 110.456 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.535 ' O ' HD23 ' A' ' 41' ' ' LEU . 24.2 mp0 55.37 59.3 4.01 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.888 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 40' ' ' GLN . 17.7 mt -140.07 152.94 46.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -115.21 128.47 56.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 49' ' ' ARG . 56.7 tp -70.48 121.53 17.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.78 126.82 35.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.92 -9.5 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -79.62 -54.43 5.89 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 121.953 -0.467 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -101.97 -8.51 21.46 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m 62.21 36.42 14.92 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 43' ' ' LEU . 41.2 mmm-85 -125.39 175.58 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.3 m -100.0 143.86 29.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.675 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.993 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.886 0.375 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -94.23 -25.5 17.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.564 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -160.2 -71.95 0.07 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.906 0.384 . . . . 0.0 111.011 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 68.09 79.42 0.22 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.72 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -149.44 83.02 6.63 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.412 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.5 133.24 44.69 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.974 1.783 . . . . 0.0 112.886 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 55.6 m -113.3 137.99 50.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.232 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.69 141.44 27.47 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.611 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -49.57 143.45 21.54 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 122.178 1.919 . . . . 0.0 112.715 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 72.8 m -91.73 -71.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.131 0.491 . . . . 0.0 110.708 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -90.55 -159.16 0.59 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.542 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -125.04 -70.82 0.73 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.7 ttp85 -100.2 -50.49 3.94 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -94.96 58.72 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.406 0.622 . . . . 0.0 109.886 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -89.42 -16.53 30.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.827 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -59.92 -26.2 65.75 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.235 -0.291 . . . . 0.0 111.681 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.1 mm? -72.18 -13.68 61.61 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -93.84 166.16 12.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.451 0.643 . . . . 0.0 112.133 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 28' ' ' SER . 4.2 m -128.49 127.88 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.787 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -109.56 139.0 45.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.633 0.73 . . . . 0.0 112.298 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.41 142.55 24.99 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.504 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.16 -2.31 11.62 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.059 1.839 . . . . 0.0 114.166 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -102.65 -43.0 5.72 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 122.142 -0.349 . . . . 0.0 111.454 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.7 p -102.23 -18.49 15.47 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.0 m 63.94 17.94 10.88 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.288 0.368 . . . . 0.0 111.852 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -90.12 173.57 8.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.0 m -129.48 148.65 51.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.263 0.554 . . . . 0.0 112.043 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.75 ' O ' HG22 ' A' ' 19' ' ' VAL . 5.0 m -140.27 136.1 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.492 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.5 m -59.51 150.79 25.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.99 0.424 . . . . 0.0 111.68 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -74.08 -57.92 3.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.666 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -63.91 151.18 43.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.662 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -114.06 163.03 15.71 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.14 -33.25 71.9 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.0 m -59.97 -44.96 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -60.05 -49.32 78.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.6 m -61.81 -45.94 91.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.002 0.429 . . . . 0.0 110.429 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -20.66 62.9 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.754 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.58 -24.38 60.73 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -128.61 37.93 4.04 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 110.334 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.489 ' O ' HD23 ' A' ' 41' ' ' LEU . 24.8 mp0 56.84 58.35 4.12 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.7 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 40' ' ' GLN . 48.8 mt -138.98 168.68 19.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -132.77 115.32 15.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.285 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 tp -58.65 127.75 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.272 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -97.46 130.34 44.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.05 -2.74 32.21 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -79.88 -49.86 11.33 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.468 0.577 . . . . 0.0 110.586 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 t -117.53 -3.11 11.38 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.1 m 64.95 55.52 1.16 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.345 0.593 . . . . 0.0 110.456 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -139.89 166.47 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.1 m -89.99 140.97 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -138.67 160.56 39.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.45 111.63 64.01 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.783 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.48 -47.04 1.63 Allowed 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.768 1.645 . . . . 0.0 112.36 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.65 -69.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.728 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.78 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtp85 61.61 176.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.038 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -57.15 -21.99 36.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.168 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -99.36 161.26 13.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.754 0.311 . . . . 0.0 110.96 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -141.78 74.26 22.73 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -87.97 -170.75 0.58 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.226 1.951 . . . . 0.0 112.748 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 81.2 m -124.77 162.91 23.24 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.379 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.92 143.26 16.43 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.488 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -45.43 172.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.81 2.34 . . . . 0.0 113.297 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 89.7 m -90.31 -82.83 0.27 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -90.34 -166.12 1.51 Allowed 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.606 0.241 . . . . 0.0 110.932 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -108.66 -38.08 5.74 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -127.76 -59.4 1.2 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.779 0.323 . . . . 0.0 111.184 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.8 mtt85 -90.6 59.22 4.18 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.349 0.595 . . . . 0.0 109.525 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -90.75 -21.27 21.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.399 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.584 ' CD2' HD22 ' A' ' 17' ' ' LEU . 25.1 p-80 -57.22 -19.96 24.2 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD22 ' CD2' ' A' ' 16' ' ' HIS . 4.0 mm? -77.34 -16.68 58.78 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 11' ' ' SER . 35.3 m-85 -89.89 173.04 8.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.402 0.62 . . . . 0.0 111.802 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' SER . 4.4 m -139.99 125.08 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.479 178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -99.78 133.02 44.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 111.616 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.92 144.32 85.22 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.555 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.32 -16.22 10.95 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 121.878 1.719 . . . . 0.0 113.625 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -106.7 -38.43 6.12 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.5 p -99.88 -24.4 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.7 m 63.03 26.61 15.54 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.445 0.164 . . . . 0.0 111.383 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 142.82 27.36 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.5 m -99.86 134.45 42.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.353 0.597 . . . . 0.0 111.836 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.458 ' O ' HG22 ' A' ' 19' ' ' VAL . 40.9 t -140.81 140.1 34.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.861 178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.5 m -62.85 149.59 43.91 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.77 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -68.6 -58.51 4.17 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.472 ' O ' HD22 ' A' ' 43' ' ' LEU . 35.0 t-20 -70.15 145.23 51.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.481 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.7 p -107.91 164.49 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -35.75 81.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 0.0 110.537 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -57.9 -47.6 82.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -58.52 -48.81 79.62 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.95 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.4 m -59.71 -43.29 94.19 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.904 0.383 . . . . 0.0 110.578 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -62.96 -23.0 67.21 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.51 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.63 64.73 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.73 0.3 . . . . 0.0 111.17 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -122.91 36.36 4.66 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-O 121.158 0.504 . . . . 0.0 110.064 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 58.87 41.53 21.21 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.417 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 mt -126.04 162.8 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.248 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -133.54 120.9 21.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 49' ' ' ARG . 59.2 tp -51.34 121.04 5.66 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -89.86 126.68 35.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.448 178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -70.27 -6.22 33.27 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 mmt85 -79.61 -54.29 6.03 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.562 0.619 . . . . 0.0 110.694 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 49' ' ' ARG . 5.1 t -111.31 8.82 21.54 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.1 m 55.37 26.15 8.41 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.085 0.402 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 43' ' ' LEU . 12.1 mmm180 -110.77 -177.88 3.34 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.571 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 78.8 m -99.92 135.75 40.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.08 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -136.0 165.72 25.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -93.49 108.73 35.97 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.773 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.1 148.89 45.36 Favored 'Trans proline' 0 C--N 1.358 1.067 0 C-N-CA 121.739 1.626 . . . . 0.0 112.809 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 ptt85 -159.83 -48.35 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.76 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -97.8 138.15 35.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -61.83 146.22 50.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -121.69 -177.82 3.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.19 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -90.29 113.68 58.29 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -91.47 27.89 0.4 Allowed 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.327 2.018 . . . . 0.0 113.36 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 80.2 m -117.54 153.68 32.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.744 0.307 . . . . 0.0 110.638 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.67 177.06 51.26 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.811 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.61 174.85 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 122.146 1.897 . . . . 0.0 112.493 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.0 m -90.1 -79.7 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.779 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.42 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 42.9 t -90.25 -170.95 2.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.672 0.272 . . . . 0.0 110.457 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -131.3 40.74 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.974 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -141.76 -71.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.749 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -158.46 45.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.16 140.74 0.75 Allowed 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -161.16 -46.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.452 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.507 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.6 mm? -95.0 22.72 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.683 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 11' ' ' SER . 5.2 m-85 -96.72 145.29 25.93 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 28' ' ' SER . 6.6 m -106.17 130.27 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -100.23 136.46 40.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.676 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -91.43 134.85 28.82 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -89.68 39.4 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 C-N-CA 122.386 2.057 . . . . 0.0 113.568 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -148.82 -49.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.233 0.54 . . . . 0.0 110.133 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.7 p -101.16 -12.78 18.49 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.035 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.4 m 64.3 11.96 6.82 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.5 145.2 25.08 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 109.614 -0.514 . . . . 0.0 109.614 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.6 m -113.22 148.84 34.7 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.14 0.495 . . . . 0.0 111.468 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' HG22 ' A' ' 19' ' ' VAL . 26.7 m -140.33 144.78 36.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.7 m -57.89 139.65 53.76 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.142 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -61.93 -57.58 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' HB3' HD13 ' A' ' 43' ' ' LEU . 11.0 t-20 -60.92 154.95 20.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.335 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -118.1 154.97 31.22 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.298 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.64 -35.38 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.954 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -57.61 -47.91 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -58.49 -46.81 85.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.973 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 76.5 m -61.27 -45.77 93.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.733 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -59.17 -23.25 62.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.609 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.09 -27.09 52.29 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.71 0.291 . . . . 0.0 111.649 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -126.75 38.94 4.02 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.143 0.497 . . . . 0.0 110.159 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 56.91 38.55 29.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.685 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.2 mt -119.36 161.87 19.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.316 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.16 120.03 22.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.967 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 31' ' ' ASN . 66.3 tp -50.74 135.97 22.71 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.627 ' OD1' HG22 ' A' ' 47' ' ' THR . 25.2 t-20 -97.14 130.01 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.099 178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -71.95 -22.5 61.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 mtt85 -79.84 -56.32 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.627 HG22 ' OD1' ' A' ' 44' ' ' ASN . 5.1 t -95.63 -8.36 35.08 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 16.0 m 61.43 30.94 19.14 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.043 -0.41 . . . . 0.0 110.986 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -114.75 176.2 5.16 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.619 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.6 m -101.24 130.85 47.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.697 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -125.19 179.38 5.09 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.852 0.358 . . . . 0.0 110.787 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 99.15 35.4 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -85.48 -75.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 121.795 1.663 . . . . 0.0 112.831 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -154.53 -140.42 0.09 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.147 0 CA-C-N 119.26 0.937 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 60.72 -166.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 58.72 73.61 0.47 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.198 0.523 . . . . 0.0 111.163 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -141.21 33.98 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -149.86 85.17 5.67 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -86.18 -176.85 2.25 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.163 1.909 . . . . 0.0 113.036 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 m -148.93 173.64 13.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.036 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.58 -171.69 25.71 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.925 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -82.72 142.45 11.41 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.234 1.956 . . . . 0.0 112.807 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 m -90.79 -50.51 5.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.614 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.8 p -78.12 170.17 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.156 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -72.91 -61.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 175.83 7.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.773 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -67.84 83.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -41.52 176.55 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -178.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -153.68 -48.14 0.09 Allowed 'General case' 0 C--O 1.231 0.083 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.222 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 17' ' ' LEU . 7.0 mp -94.63 23.38 5.4 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.663 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 18.4 m-85 -104.94 147.02 28.22 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.736 0.303 . . . . 0.0 110.549 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 28' ' ' SER . 4.4 m -119.43 124.77 73.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -99.86 139.46 35.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.95 0.405 . . . . 0.0 111.419 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.62 144.91 34.16 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.742 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -83.67 -12.53 8.71 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.017 1.811 . . . . 0.0 113.812 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -102.23 -46.85 4.7 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.6 p -99.84 -16.05 18.19 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.6 m 62.73 18.91 11.03 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -90.24 139.99 30.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -103.22 143.81 32.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.456 . . . . 0.0 111.683 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' HG22 ' A' ' 19' ' ' VAL . 5.2 p -140.01 138.17 35.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.455 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.1 m -57.33 141.01 48.48 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -58.83 6.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -61.36 155.29 21.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.494 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.0 p -118.38 153.11 34.58 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.482 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.62 -34.49 72.84 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.89 -46.87 84.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.3 mtp-105 -59.72 -46.65 88.47 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.93 0.395 . . . . 0.0 110.815 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.6 m -60.61 -42.64 97.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 110.471 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.19 -21.93 66.54 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.254 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.07 -26.21 64.43 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.302 -0.249 . . . . 0.0 111.271 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -122.8 37.5 4.39 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 55.58 33.91 22.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.953 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD22 ' HB2' ' A' ' 52' ' ' LYS . 24.1 mt -109.71 171.19 7.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.419 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -134.61 111.62 10.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.286 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 tp -52.21 138.71 25.49 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 112.376 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -105.45 114.08 28.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.79 -16.32 27.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -79.78 -57.62 3.57 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 122.078 -0.389 . . . . 0.0 112.023 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 t -96.05 -9.31 31.23 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 m 65.18 33.95 8.93 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.993 0.425 . . . . 0.0 110.504 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 169.46 9.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 m -102.53 136.24 42.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.83 145.56 29.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' HB2' HD22 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -123.49 111.19 29.96 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.04 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -58.04 -64.92 0.1 Allowed 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.687 1.591 . . . . 0.0 111.637 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.14 -92.12 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.775 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 . . . . . 0 C--N 1.338 0.107 0 O-C-N 121.884 -0.51 . . . . 0.0 110.887 179.715 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.832 0.348 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -89.56 -159.57 0.6 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.441 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.19 -31.66 38.75 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.561 0.22 . . . . 0.0 111.298 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 64.98 112.39 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.053 0.454 . . . . 0.0 110.768 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -150.21 85.63 5.4 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -85.62 -167.91 0.44 Allowed 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.185 1.924 . . . . 0.0 112.903 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.9 m -143.67 146.92 33.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.46 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.81 150.1 27.58 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 120.999 -0.62 . . . . 0.0 114.114 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -47.97 178.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 122.957 2.438 . . . . 0.0 113.108 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.08 -93.65 0.12 Allowed 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.751 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -91.57 -169.64 2.36 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 121.793 -0.567 . . . . 0.0 111.359 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -141.82 32.17 1.61 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.396 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.49 -43.69 0.12 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.612 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.0 mmt-85 -152.61 60.58 0.81 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 45.1 pttt -84.01 -19.3 34.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.845 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -53.32 -22.92 8.0 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt -97.08 44.7 1.05 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.794 0.331 . . . . 0.0 111.468 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 15' ' ' LYS . 44.8 m-85 -133.09 176.65 8.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 0.0 111.602 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 28' ' ' SER . 7.8 m -138.85 129.71 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.798 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -106.03 135.84 46.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.78 0.324 . . . . 0.0 111.292 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -82.85 146.11 51.66 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.678 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -85.14 -19.31 3.85 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.977 1.785 . . . . 0.0 113.637 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -105.58 -25.13 12.41 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.5 p -115.44 -22.74 9.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.1 m 60.88 27.03 16.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.533 0.206 . . . . 0.0 111.246 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -90.18 139.51 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.0 m -100.14 137.86 38.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.299 0.571 . . . . 0.0 112.338 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.764 ' O ' HG22 ' A' ' 19' ' ' VAL . 40.0 t -140.65 141.39 35.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.751 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 98.5 m -60.9 152.04 28.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -49.33 8.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.032 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -61.87 148.29 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.907 0.384 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.2 p -108.62 155.83 20.23 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.333 0.587 . . . . 0.0 111.237 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -60.27 -32.77 71.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.62 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 46.2 mtt85 -59.55 -49.96 75.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.22 -40.01 94.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.252 0.549 . . . . 0.0 110.262 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -64.51 -19.45 65.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.332 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.21 -21.5 65.18 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.214 -0.304 . . . . 0.0 111.698 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -128.03 31.72 5.04 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.492 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 56.94 61.5 2.58 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.253 0.549 . . . . 0.0 111.735 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD13 ' CB ' ' A' ' 50' ' ' CYS . 88.3 mt -134.65 -176.9 4.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.417 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -139.41 105.4 5.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.936 0.398 . . . . 0.0 111.225 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -54.31 123.2 12.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.891 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -90.8 127.92 36.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.757 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.66 -15.23 62.71 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -79.89 -62.88 1.55 Allowed 'General case' 0 N--CA 1.461 0.099 0 O-C-N 122.123 -0.361 . . . . 0.0 111.175 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 t -91.71 -11.13 37.74 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 m 65.08 34.85 8.41 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.883 0.373 . . . . 0.0 110.725 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -118.1 173.69 6.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' CB ' HD13 ' A' ' 41' ' ' LEU . 48.3 m -100.13 127.52 46.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.331 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -114.44 -178.29 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.32 139.89 21.71 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.717 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -69.9 103.25 1.16 Allowed 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.795 1.664 . . . . 0.0 112.413 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.4 mtp85 -139.16 -54.54 0.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.738 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.77 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.764 0.316 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -96.33 -176.28 3.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -128.1 139.72 52.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -93.47 -0.5 56.38 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -149.2 84.75 6.11 Favored Pre-proline 0 CA--C 1.534 0.361 0 O-C-N 121.939 -0.476 . . . . 0.0 111.285 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -85.78 -171.12 0.82 Allowed 'Trans proline' 0 C--N 1.356 0.944 0 C-N-CA 122.171 1.914 . . . . 0.0 112.616 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.1 m -113.35 145.6 40.82 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.551 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.15 139.72 14.73 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.687 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -44.84 141.1 6.23 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 122.706 2.271 . . . . 0.0 113.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 70.9 m -90.37 -64.83 1.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.97 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -90.22 -168.08 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.01 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -110.47 -34.55 6.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.31 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -138.71 -46.9 0.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.697 0.284 . . . . 0.0 111.47 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.47 59.07 2.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.259 0.552 . . . . 0.0 110.494 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 -16.54 31.97 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.569 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -70.32 -27.21 64.2 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.205 -0.309 . . . . 0.0 111.273 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.59 -40.23 74.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.86 162.71 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.216 0.531 . . . . 0.0 111.725 -178.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 28' ' ' SER . 13.2 m -106.62 138.99 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.389 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -105.41 138.5 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.061 0.458 . . . . 0.0 112.062 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -91.6 145.08 30.55 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.441 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -85.7 -11.56 6.79 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 122.173 1.915 . . . . 0.0 114.141 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.483 ' HG3' HG23 ' A' ' 24' ' ' THR . 3.0 pt20 -100.14 -36.8 9.2 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.483 HG23 ' HG3' ' A' ' 23' ' ' GLN . 71.5 p -109.07 -18.68 13.6 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.7 m 63.78 17.55 10.56 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.4 155.49 18.91 Favored 'General case' 0 C--O 1.23 0.069 0 O-C-N 122.263 -0.273 . . . . 0.0 110.295 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.4 m -111.05 141.26 44.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.194 0.521 . . . . 0.0 111.493 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 19' ' ' VAL . 7.3 m -140.69 140.71 34.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.216 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 86.1 m -54.99 143.12 27.47 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 112.083 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -53.58 9.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.873 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -64.43 156.67 28.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.5 p -115.66 155.73 27.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.087 0.47 . . . . 0.0 111.416 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -60.17 -33.64 72.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.746 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 m -58.64 -45.59 88.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -59.35 -47.22 86.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.75 -44.97 95.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.885 0.374 . . . . 0.0 110.322 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -22.55 65.0 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.314 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -26.3 63.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.291 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtm105 -123.55 37.25 4.46 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.164 0.507 . . . . 0.0 109.931 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 55.81 33.3 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.996 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.517 HD22 ' O ' ' A' ' 51' ' ' ASP . 44.2 mt -109.48 164.79 12.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -130.02 111.82 12.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 49' ' ' ARG . 61.6 tp -51.38 122.94 8.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.145 -0.479 . . . . 0.0 112.279 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -92.05 126.4 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.978 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -69.13 -8.3 44.2 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -79.86 -53.95 6.29 Favored 'General case' 0 C--O 1.231 0.127 0 O-C-N 121.976 -0.453 . . . . 0.0 111.129 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.5 t -110.35 2.04 18.82 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.4 m 58.69 30.03 19.4 Favored 'General case' 0 C--N 1.338 0.106 0 O-C-N 122.063 -0.398 . . . . 0.0 111.446 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 43' ' ' LEU . 4.1 mmp_? -111.94 175.5 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.176 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.7 m -97.2 132.73 42.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.678 0.275 . . . . 0.0 110.449 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.517 ' O ' HD22 ' A' ' 41' ' ' LEU . 18.7 t70 -99.96 153.49 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.025 0.441 . . . . 0.0 111.236 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -103.71 149.68 37.37 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.613 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.99 -49.8 0.37 Allowed 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 121.763 1.642 . . . . 0.0 112.39 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.42 -69.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.863 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.847 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.768 0.318 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -159.28 -45.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -157.26 136.4 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.599 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -106.25 120.34 41.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.247 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.74 103.59 54.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -58.15 -156.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.931 1.754 . . . . 0.0 113.163 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 95.3 m -132.06 172.45 12.36 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.934 0.397 . . . . 0.0 111.5 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.59 -169.82 44.56 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.306 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.45 -169.45 0.48 Allowed 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 122.536 2.157 . . . . 0.0 112.519 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.9 m -88.67 -76.16 0.41 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.267 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -88.48 -76.8 0.38 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.027 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -156.97 -67.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.642 0.258 . . . . 0.0 111.583 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -142.36 -48.44 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.228 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -66.24 -10.34 41.08 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 pptp? -47.7 143.65 3.77 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 15.1 p-80 -165.04 -44.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.594 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' CD2' ' A' ' 16' ' ' HIS . 19.3 mt -93.13 17.41 11.0 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.146 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -92.2 145.98 24.07 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 28' ' ' SER . 7.7 m -107.54 133.45 52.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -99.62 136.43 39.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 111.606 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -91.14 136.42 27.3 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -91.21 32.52 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 C-N-CA 122.506 2.137 . . . . 0.0 113.312 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -137.37 -48.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 110.172 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.9 p -108.3 -8.04 15.78 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.22 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.72 12.9 6.99 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 144.41 25.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.8 m -106.11 149.49 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.118 0.485 . . . . 0.0 111.414 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.53 ' O ' HG22 ' A' ' 19' ' ' VAL . 21.4 p -139.97 144.92 37.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.587 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.1 m -59.72 137.83 57.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.74 -10.24 59.24 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -90.3 167.09 12.93 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 122.081 -0.387 . . . . 0.0 110.794 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.4 p -123.47 143.82 49.91 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.085 0.469 . . . . 0.0 111.314 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.53 -32.5 72.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.715 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.9 m -59.99 -44.77 94.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -60.59 -47.53 85.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.775 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.4 m -62.9 -46.88 85.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.936 0.398 . . . . 0.0 110.428 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -64.45 -20.55 66.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.664 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.34 -27.01 67.01 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.574 0.226 . . . . 0.0 111.135 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -126.07 37.12 4.4 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.996 0.427 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.619 ' O ' HD23 ' A' ' 41' ' ' LEU . 4.0 mp0 56.35 59.49 3.62 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.64 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 40' ' ' GLN . 34.4 mt -140.19 156.65 46.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.56 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -116.86 120.53 38.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.51 120.36 8.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.322 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -90.01 123.06 33.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.652 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -73.12 -6.86 48.47 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -48.4 13.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 122.012 -0.43 . . . . 0.0 110.266 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.4 t -115.14 -3.11 12.6 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 m 63.13 33.78 14.19 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 118.018 0.372 . . . . 0.0 110.914 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 -118.08 170.03 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.337 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 16.9 m -100.65 128.26 46.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.73 0.3 . . . . 0.0 110.473 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -111.07 158.36 18.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.247 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 99.22 32.84 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.54 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.86 138.08 16.39 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 121.918 1.746 . . . . 0.0 112.936 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -148.28 -63.96 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.599 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.869 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.807 0.337 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.4 ttm105 -154.83 35.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 57.64 25.71 12.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.824 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.08 43.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.985 0.422 . . . . 0.0 110.757 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -109.38 92.24 11.27 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.4 125.13 3.84 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 122.098 1.865 . . . . 0.0 112.85 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.7 m -146.23 173.54 12.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.09 -167.9 42.18 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.864 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -81.29 -172.53 1.52 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.504 2.136 . . . . 0.0 112.216 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.9 m -90.11 -75.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t -89.96 -74.54 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.76 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -162.77 -67.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.199 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -144.37 -49.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.966 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.04 -17.38 52.03 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.202 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.48 137.13 0.62 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -163.38 -44.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.645 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.6 mm? -91.55 19.63 6.09 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.091 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -98.39 158.42 15.59 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 120.682 0.277 . . . . 0.0 110.945 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 28' ' ' SER . 5.6 m -126.54 127.09 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.941 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -99.84 136.51 39.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.052 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -88.38 140.28 30.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.247 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -91.11 34.91 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 122.715 2.277 . . . . 0.0 113.172 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -142.52 -50.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.14 0.495 . . . . 0.0 109.847 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -102.59 -12.71 17.55 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.162 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m 63.37 15.02 8.37 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -90.42 139.89 30.24 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 122.197 -0.314 . . . . 0.0 110.316 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.5 m -105.05 143.17 33.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 19' ' ' VAL . 8.7 p -140.68 142.47 34.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.994 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.9 m -64.34 131.82 48.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.931 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -47.56 83.22 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.491 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -64.78 149.1 49.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.698 0.285 . . . . 0.0 111.117 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 p -113.2 157.02 22.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.15 -33.06 70.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.874 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.6 m -61.15 -45.56 94.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.679 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.8 -51.22 70.48 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.216 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.4 m -61.87 -45.99 91.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.828 0.347 . . . . 0.0 110.497 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -58.11 -21.42 46.27 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.56 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.9 -23.18 60.82 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 84.4 mmt-85 -128.03 35.4 4.46 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.014 0.435 . . . . 0.0 110.147 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 57.02 38.94 29.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.713 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -110.22 177.68 4.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.329 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -139.6 105.11 5.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 0.0 111.497 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 49' ' ' ARG . 47.7 tp -50.3 119.26 3.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.265 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -89.94 122.99 33.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.896 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.43 -10.55 45.12 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.6 mmm-85 -79.74 -55.77 4.76 Favored 'General case' 0 CA--C 1.528 0.098 0 O-C-N 121.986 -0.446 . . . . 0.0 111.371 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.4 t -106.13 1.11 25.99 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 m 59.36 29.91 19.54 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 122.01 -0.431 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 43' ' ' LEU . 68.6 mtp85 -112.04 173.31 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.0 m -100.05 128.82 46.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.571 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -108.38 164.39 12.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.59 136.89 25.68 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.724 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.32 -173.28 1.08 Allowed 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.819 1.68 . . . . 0.0 112.527 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -98.26 89.27 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.813 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.82 -63.41 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.028 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -66.74 -75.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -164.93 121.3 1.46 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.816 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -124.44 110.8 28.27 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.251 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.26 -148.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.939 1.76 . . . . 0.0 112.116 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -115.04 159.05 21.27 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 122.029 -0.419 . . . . 0.0 110.562 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.84 156.45 25.49 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.357 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.43 -175.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.27 0 C-N-CA 122.526 2.151 . . . . 0.0 112.766 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 65.5 m -89.98 -77.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.604 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.5 t -89.97 -64.67 1.1 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.405 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -158.54 -94.98 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 119.695 -0.193 . . . . 0.0 111.236 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.56 68.34 0.96 Allowed 'General case' 0 C--N 1.345 0.389 0 CA-C-N 118.502 0.592 . . . . 0.0 109.674 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 178.43 -37.13 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.921 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 3.3 mptp? -60.77 62.63 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -66.58 -21.78 66.14 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.649 -0.657 . . . . 0.0 111.32 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.3 mt -63.48 -12.49 32.17 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 22.5 m-85 -89.21 146.89 24.46 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.137 0.426 . . . . 0.0 110.653 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 28' ' ' SER . 5.1 m -110.93 127.61 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -103.5 131.62 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.171 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.16 145.38 68.92 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -84.31 -14.78 6.8 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.939 1.759 . . . . 0.0 113.803 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -102.04 -44.43 5.47 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -99.63 -17.15 17.95 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 m 61.59 28.48 17.68 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.549 0.214 . . . . 0.0 111.263 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -90.52 160.71 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.7 m -122.05 139.52 53.6 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.189 0.518 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 19' ' ' VAL . 6.5 m -140.51 139.04 35.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.008 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 9.1 m -61.49 141.8 57.46 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.618 0.247 . . . . 0.0 110.759 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -70.77 -7.75 47.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -108.9 161.72 14.87 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.805 -0.559 . . . . 0.0 110.76 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.0 p -117.68 150.15 39.54 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.017 0.437 . . . . 0.0 111.109 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -61.38 -33.04 73.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 p -60.41 -42.54 96.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -61.92 -47.01 86.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -64.19 -44.94 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.345 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -61.55 -19.88 62.64 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.747 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.31 -21.8 50.54 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -133.66 37.49 3.29 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 120.94 0.4 . . . . 0.0 110.306 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 55.03 65.27 1.54 Allowed 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.648 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.75 -179.76 5.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.523 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -139.41 113.36 8.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.033 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.0 tp -59.91 124.05 18.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.0 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -90.27 128.56 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.84 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.45 -15.03 62.32 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.8 mtp85 -79.63 -60.63 2.28 Favored 'General case' 0 CA--C 1.527 0.089 0 O-C-N 122.123 -0.36 . . . . 0.0 111.35 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 p -94.32 -12.46 27.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.7 m 64.93 40.45 5.31 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.129 0.49 . . . . 0.0 110.557 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.24 168.34 14.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.4 m -95.3 128.83 42.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.792 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -136.7 168.25 19.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 ttmm -84.99 121.3 74.21 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.682 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.33 -24.11 14.67 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 121.814 1.676 . . . . 0.0 112.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtp-105 -65.86 78.52 0.08 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.962 0.41 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.804 179.823 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.817 0.342 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.36 149.66 24.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -159.8 -176.5 5.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.596 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 63.81 46.59 3.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.235 0.54 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -89.76 139.41 27.77 Favored Pre-proline 0 N--CA 1.452 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -95.55 -164.35 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.094 1.862 . . . . 0.0 113.353 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -147.23 179.34 7.71 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.885 0.374 . . . . 0.0 111.524 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.77 -177.01 25.86 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.22 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -85.0 154.67 11.24 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 122.279 1.986 . . . . 0.0 113.105 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 m -91.13 -54.92 3.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.878 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.9 t -90.81 20.48 4.73 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.207 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 77.54 -53.61 0.53 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -89.31 -168.42 2.16 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.825 0.345 . . . . 0.0 111.727 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 mtm105 -80.88 61.41 4.49 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 121.41 0.624 . . . . 0.0 110.791 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -64.01 92.92 0.08 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 122.697 1.237 . . . . 0.0 111.549 -179.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -77.21 -35.47 55.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.331 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.35 -23.01 21.81 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 15' ' ' LYS . 14.7 m-85 -89.0 143.9 26.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.807 0.337 . . . . 0.0 110.936 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.813 HG22 ' O ' ' A' ' 28' ' ' SER . 11.8 m -100.01 134.73 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.316 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -99.32 138.67 36.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.223 0.535 . . . . 0.0 111.831 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.79 126.74 48.35 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.61 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.02 38.79 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.029 1.819 . . . . 0.0 114.9 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.578 ' HG3' HG23 ' A' ' 24' ' ' THR . 12.0 pt20 -148.77 -48.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.984 0.421 . . . . 0.0 109.873 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.578 HG23 ' HG3' ' A' ' 23' ' ' GLN . 63.4 p -100.53 -16.58 17.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.803 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 m 66.2 21.22 11.11 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -90.4 144.61 25.65 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.3 m -100.48 148.61 24.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 111.338 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.813 ' O ' HG22 ' A' ' 19' ' ' VAL . 4.6 m -140.11 132.72 28.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.523 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 74.9 m -57.43 141.23 48.12 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.023 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -58.09 -60.62 3.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.972 0.415 . . . . 0.0 110.323 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -67.84 149.72 49.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.152 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -113.66 164.63 13.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.965 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.49 -34.57 75.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.663 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -50.53 73.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -57.01 -49.06 76.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.2 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.0 m -61.42 -45.33 94.76 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -61.01 -24.12 65.92 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.471 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.67 64.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.717 0.294 . . . . 0.0 111.27 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.44 36.9 4.53 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.053 0.454 . . . . 0.0 110.1 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.58 34.66 24.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.543 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 mt -112.55 165.43 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.195 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -134.09 114.61 13.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.228 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 tp -50.19 125.66 12.9 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -90.01 131.03 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.49 -19.41 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -79.57 -56.64 4.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.647 0.261 . . . . 0.0 111.607 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 p -96.85 -5.18 38.87 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.2 m 57.87 28.63 16.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.095 0.407 . . . . 0.0 111.361 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -112.17 178.39 4.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.146 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.0 m -99.35 133.76 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.287 . . . . 0.0 111.031 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.53 147.14 46.19 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.57 106.55 30.57 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.671 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.39 -45.87 0.24 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.762 1.642 . . . . 0.0 113.107 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -73.65 66.37 1.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.221 0.534 . . . . 0.0 110.997 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.819 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.899 0.381 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 37.8 mmm-85 -145.07 153.13 41.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 62.08 -157.27 0.33 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.007 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -173.5 16.32 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -151.65 162.5 26.52 Favored Pre-proline 0 N--CA 1.455 -0.193 0 CA-C-N 119.601 1.091 . . . . 0.0 109.252 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.9 4.02 6.86 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 121.654 1.569 . . . . 0.0 113.457 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.5 m -149.07 172.17 15.22 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 122.209 -0.307 . . . . 0.0 110.802 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.43 -170.27 25.76 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.721 -0.752 . . . . 0.0 113.083 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.4 156.44 6.63 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.673 2.248 . . . . 0.0 112.229 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m -90.27 -61.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.576 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.6 t -89.76 -93.14 0.12 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.261 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.15 -40.39 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.527 0.603 . . . . 0.0 111.344 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -144.83 12.89 1.47 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 54.5 mtm180 -138.21 55.7 1.75 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.503 0.668 . . . . 0.0 109.896 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.43 -19.93 23.35 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.367 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -62.75 -19.06 63.59 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt -85.64 -30.63 23.08 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 5.0 m-85 -90.0 161.74 15.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.466 0.651 . . . . 0.0 112.288 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 28' ' ' SER . 6.1 m -114.52 135.86 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.737 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -99.66 131.28 45.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 111.437 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -82.88 142.4 44.96 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -89.58 36.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.442 2.095 . . . . 0.0 113.618 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -150.13 -49.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.094 0.473 . . . . 0.0 110.032 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.2 p -99.82 -18.16 17.31 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.635 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.3 m 63.13 25.02 14.71 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -90.37 149.7 22.18 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.07 139.42 35.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.953 0.406 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.809 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.5 p -140.89 134.32 29.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.9 m -50.97 137.14 21.7 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -10.09 59.45 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -94.3 165.32 12.64 Favored 'General case' 0 C--N 1.34 0.155 0 O-C-N 121.931 -0.481 . . . . 0.0 110.74 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -125.15 148.0 48.78 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.191 0.519 . . . . 0.0 111.503 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -34.5 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.9 m -57.38 -50.01 74.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -57.8 -48.12 80.63 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.183 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.37 -48.08 82.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -60.43 -23.45 64.4 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.411 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.47 -29.71 64.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.822 0.344 . . . . 0.0 111.215 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HD2' HD12 ' A' ' 41' ' ' LEU . 6.5 ptp85 -121.87 40.02 3.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.055 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 54.92 36.45 26.77 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.272 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD12 ' HD2' ' A' ' 39' ' ' ARG . 79.8 mt -117.65 153.54 33.13 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.69 0.281 . . . . 0.0 110.298 178.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.47 123.65 46.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 tp -61.57 128.06 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.305 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.539 ' OD1' HG22 ' A' ' 47' ' ' THR . 28.6 t-20 -90.15 126.9 35.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.59 -21.45 62.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -83.1 -56.5 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.539 HG22 ' OD1' ' A' ' 44' ' ' ASN . 7.1 t -91.12 -14.31 31.44 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.7 m 63.93 38.74 8.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 111.082 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -122.71 170.66 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.3 m -105.02 130.86 53.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' HD22 ' A' ' 41' ' ' LEU . 22.6 m-20 -130.22 154.42 47.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -96.34 138.85 21.51 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.867 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.59 80.32 1.42 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.845 1.697 . . . . 0.0 112.393 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.9 mtp85 -158.69 109.03 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.784 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -93.84 178.26 5.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -146.39 149.15 33.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.39 -172.32 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.775 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -149.94 94.58 3.77 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -85.35 -168.96 0.54 Allowed 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.092 1.861 . . . . 0.0 112.9 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 55.4 m -113.4 151.34 31.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.396 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.4 -164.02 35.82 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.609 -0.805 . . . . 0.0 113.472 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -86.79 151.96 8.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 122.414 2.076 . . . . 0.0 113.258 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.5 m -90.36 -48.68 6.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.109 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 p -59.45 -177.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.67 -35.42 80.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -129.33 -165.75 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.3 ttt85 -62.37 85.08 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.546 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -56.06 72.5 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -177.335 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -68.84 -41.79 78.04 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.53 -0.731 . . . . 0.0 110.547 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.8 mm? -69.19 -22.12 63.92 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.844 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.34 157.58 18.68 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.728 0.299 . . . . 0.0 110.663 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 28' ' ' SER . 7.0 m -100.2 157.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -139.88 130.54 25.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 0.0 112.005 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -75.4 136.58 71.69 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.469 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -88.95 40.85 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.388 2.058 . . . . 0.0 113.302 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -149.57 -47.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.845 0.355 . . . . 0.0 110.404 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -105.69 -9.27 17.4 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.5 m 62.87 27.78 16.13 Favored 'General case' 0 C--N 1.342 0.273 0 O-C-N 121.954 -0.466 . . . . 0.0 111.024 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 148.27 23.14 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 69.5 m -115.55 146.89 41.32 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.144 0.497 . . . . 0.0 111.915 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.684 ' O ' HG22 ' A' ' 19' ' ' VAL . 15.1 m -140.04 137.05 34.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.123 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.82 142.52 50.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.297 0.57 . . . . 0.0 111.558 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -65.41 -32.61 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.53 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -104.19 164.68 11.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.471 HG23 ' NH2' ' A' ' 35' ' ' ARG . 67.5 p -120.6 149.48 42.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.226 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.05 -33.39 75.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -57.55 -44.69 85.4 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' NH2' HG23 ' A' ' 32' ' ' THR . 50.0 mtm-85 -62.34 -42.8 99.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.254 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.5 m -62.87 -47.36 83.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.271 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -64.15 -18.08 64.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.891 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.9 -27.14 69.16 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.28 . . . . 0.0 111.487 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -127.3 37.28 4.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.028 0.442 . . . . 0.0 110.647 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 54.75 66.66 1.18 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -138.85 -177.21 4.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -138.03 125.43 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -72.88 128.99 37.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -91.83 135.34 34.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.365 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.47 -16.86 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -81.47 -42.25 20.59 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.732 0.301 . . . . 0.0 111.756 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.3 p -111.4 -12.55 14.01 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.8 m 64.51 31.31 12.5 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -118.23 169.38 9.76 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 m -99.31 137.1 38.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.716 0.293 . . . . 0.0 110.757 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -117.62 151.31 37.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.719 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -103.81 138.24 19.47 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.06 -168.46 0.38 Allowed 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 121.884 1.723 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -93.31 -55.55 3.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.781 0.324 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -67.06 91.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.794 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -163.23 -175.15 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.03 121.21 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 p30 -149.96 147.25 21.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.55 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.37 -0.45 10.21 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.883 1.722 . . . . 0.0 114.329 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.3 m -132.93 150.27 52.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.61 -171.47 24.65 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.367 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.94 160.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 122.482 2.121 . . . . 0.0 113.188 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 90.5 m -89.62 -55.83 3.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.264 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -85.41 179.35 7.18 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.59 36.69 1.65 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.585 -179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.94 -75.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.984 0.421 . . . . 0.0 110.23 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -134.58 48.98 2.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.523 0.677 . . . . 0.0 109.186 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -57.75 -16.66 11.86 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.069 -0.969 . . . . 0.0 113.523 -178.331 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -49.77 -25.21 2.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt -82.5 -6.13 59.13 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 15' ' ' LYS . 9.0 m-85 -89.35 152.12 21.69 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.982 -0.449 . . . . 0.0 111.428 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 28' ' ' SER . 3.5 m -101.14 121.61 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.044 178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -99.73 125.84 45.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.409 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.72 142.74 98.32 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -83.23 -14.99 8.05 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 121.952 1.768 . . . . 0.0 113.916 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.508 ' HG3' HG23 ' A' ' 24' ' ' THR . 7.2 pt20 -108.86 -38.04 5.71 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 23' ' ' GLN . 53.9 p -106.41 -14.66 15.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 62.68 34.77 14.58 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.762 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 148.62 23.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.088 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.18 140.65 37.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.11 0.481 . . . . 0.0 111.657 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.756 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -139.97 135.56 32.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.634 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.1 m -64.95 135.58 55.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.08 0.467 . . . . 0.0 111.235 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -61.17 -30.9 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.792 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -106.74 166.06 10.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.761 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.9 p -122.71 151.17 41.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 111.365 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.64 -46.8 77.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.318 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -61.64 -41.89 98.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.167 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -62.39 -47.74 82.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.385 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -20.7 65.95 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.999 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.72 -29.43 69.35 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.748 0.308 . . . . 0.0 111.331 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -126.61 38.57 4.09 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 53.74 68.08 0.9 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.235 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.4 mt -140.15 -178.73 5.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.48 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -139.65 126.89 21.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 tp -74.61 119.08 18.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.994 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -89.71 124.96 35.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.675 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.55 -8.43 41.53 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -79.76 -47.01 15.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 118.116 0.417 . . . . 0.0 111.359 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.4 p -114.2 -4.76 13.05 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.8 m 63.14 32.31 15.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.791 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -117.38 170.62 8.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.0 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.5 m -102.71 140.3 37.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.596 0.236 . . . . 0.0 110.746 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -122.89 164.2 18.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.717 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -111.96 89.71 12.07 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.68 125.73 5.65 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.009 1.806 . . . . 0.0 112.483 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -147.3 105.37 3.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.742 0.306 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -155.18 102.94 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.778 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -138.04 32.09 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -173.9 129.52 0.4 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -107.45 99.54 28.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.29 -155.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 121.95 1.766 . . . . 0.0 113.343 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.6 m -113.34 153.67 28.13 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.779 0.323 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.95 -179.64 48.81 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.677 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -83.87 136.22 7.02 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.176 1.917 . . . . 0.0 112.944 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.4 m -91.28 -48.63 6.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.236 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -75.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.572 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -175.31 -85.09 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.794 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -150.63 -59.17 0.18 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.844 0.354 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -30.28 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.485 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 45.6 mmtm -65.73 69.24 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.29 -17.5 56.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.51 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.65 -12.83 25.78 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.426 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 21.3 m-85 -88.29 142.66 27.56 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.956 0.408 . . . . 0.0 110.599 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 28' ' ' SER . 7.6 m -105.89 131.1 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.318 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -99.81 134.34 42.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.415 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.62 136.51 34.8 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.766 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -89.5 32.81 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 C-N-CA 122.448 2.098 . . . . 0.0 113.848 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.506 ' HG3' HG23 ' A' ' 24' ' ' THR . 7.7 pt20 -142.11 -49.93 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.237 0.541 . . . . 0.0 110.017 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.506 HG23 ' HG3' ' A' ' 23' ' ' GLN . 50.6 p -103.79 -9.19 19.23 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.248 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 96.1 m 61.97 15.95 7.69 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -90.21 143.58 26.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.0 m -103.04 149.94 24.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.18 0.514 . . . . 0.0 111.741 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' HG22 ' A' ' 19' ' ' VAL . 12.2 p -140.11 140.34 36.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.3 m -59.28 139.91 56.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HG2' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -71.37 -11.13 60.74 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -101.49 165.59 11.17 Favored 'General case' 0 C--N 1.341 0.227 0 O-C-N 122.034 -0.416 . . . . 0.0 110.479 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.7 p -121.13 146.35 46.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.133 0.492 . . . . 0.0 111.099 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.88 -32.56 70.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.799 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t -61.65 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.795 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -57.66 -50.48 73.04 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.27 -41.88 97.69 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.234 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -65.5 -19.61 66.0 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.326 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.42 -26.66 68.61 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.447 -0.158 . . . . 0.0 111.226 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.84 35.22 4.93 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.38 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 56.66 38.96 29.94 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.592 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.5 mt -111.56 172.94 6.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.515 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -133.97 116.46 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.162 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.41 116.17 3.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -89.82 126.45 35.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -73.37 -2.59 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.479 ' CD ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -80.32 -42.01 23.77 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.469 0.577 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' CD ' ' A' ' 46' ' ' ARG . 2.7 t -127.04 5.41 6.49 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 m 60.27 37.96 20.14 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.281 0.491 . . . . 0.0 111.343 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mmt-85 -117.46 173.22 6.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.303 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.9 m -107.86 128.72 54.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.931 0.396 . . . . 0.0 110.782 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -99.76 142.68 30.92 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -112.41 93.45 22.85 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.154 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -82.55 111.62 2.06 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.012 1.808 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -113.51 95.9 5.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.785 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.808 0.337 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.9 ttt-85 -162.31 99.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -168.54 164.22 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -97.57 -178.13 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -139.42 86.23 14.49 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.74 -170.6 0.82 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.116 1.878 . . . . 0.0 112.819 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.2 m -130.86 150.83 51.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.297 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.2 -165.92 15.58 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.756 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.47 140.14 68.02 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.563 2.176 . . . . 0.0 112.934 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 m -89.51 -65.9 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.062 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.81 89.05 4.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.223 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 59.65 -168.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.92 32.31 5.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -124.23 -8.17 7.62 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.95 165.29 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -168.26 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.666 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 17' ' ' LEU . 3.7 mm? -92.78 19.99 6.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.065 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.87 148.25 23.28 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 0.0 111.156 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 28' ' ' SER . 4.9 m -99.78 117.46 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -100.32 123.23 44.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -69.69 139.99 89.06 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -89.91 38.69 0.38 Allowed 'Trans proline' 0 C--N 1.358 1.037 0 C-N-CA 122.445 2.096 . . . . 0.0 113.47 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.504 ' HG3' HG23 ' A' ' 24' ' ' THR . 11.4 pt20 -150.4 -48.77 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.087 0.47 . . . . 0.0 110.161 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 23' ' ' GLN . 68.3 p -106.06 -13.44 15.46 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.115 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.0 m 63.66 37.98 9.77 Favored 'General case' 0 C--N 1.341 0.199 0 O-C-N 122.153 -0.342 . . . . 0.0 111.236 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 142.27 27.92 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 75.8 m -108.91 138.98 44.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.197 0.522 . . . . 0.0 111.444 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.77 ' O ' HG22 ' A' ' 19' ' ' VAL . 16.1 m -140.26 137.68 34.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.209 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.84 136.41 57.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 111.403 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -63.8 -30.5 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.823 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -101.82 165.16 11.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -121.3 149.46 42.88 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -63.78 -34.27 77.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 p -56.85 -45.31 82.51 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.202 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -63.0 -42.13 99.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 110.145 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.7 m -62.54 -47.96 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.419 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.01 -18.87 65.67 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.816 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -28.0 68.78 Favored 'General case' 0 CA--C 1.529 0.146 0 O-C-N 122.291 -0.256 . . . . 0.0 111.267 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.5 mmt-85 -126.52 37.99 4.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.012 0.434 . . . . 0.0 110.586 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.477 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.7 mp0 55.57 59.95 3.6 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.821 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 40' ' ' GLN . 31.9 mt -139.78 151.99 46.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.544 179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -111.32 130.44 55.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.6 tp -70.75 124.04 23.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -90.07 127.33 36.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.978 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -72.62 -4.09 28.79 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -86.36 -43.04 13.17 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 121.978 -0.451 . . . . 0.0 111.393 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 47.4 p -119.66 -3.07 10.35 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.9 m 62.63 31.61 16.7 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.191 0.45 . . . . 0.0 110.994 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -115.49 173.55 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.919 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 m -100.79 138.25 38.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 0.0 110.791 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -138.77 -176.71 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.764 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.41 135.54 88.69 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.881 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.5 -57.32 0.22 Allowed 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 121.636 1.557 . . . . 0.0 112.505 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -148.3 -49.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.382 . . . . 0.0 110.717 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.796 0.331 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.85 32.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -105.93 -39.13 6.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -126.84 126.36 43.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -127.63 96.44 32.8 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -78.39 144.93 20.77 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.928 1.752 . . . . 0.0 112.405 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HB2' ' NE2' ' A' ' 20' ' ' GLN . 37.7 m -117.06 143.89 45.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.612 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.39 170.15 53.22 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.287 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -50.41 173.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 C-N-CA 122.305 2.003 . . . . 0.0 112.845 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.9 m -90.04 -87.67 0.18 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.1 t -90.6 -167.63 1.88 Allowed 'General case' 0 C--O 1.231 0.125 0 O-C-N 122.248 -0.282 . . . . 0.0 110.453 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -142.86 48.75 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.191 0.519 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -146.94 -75.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -141.28 37.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 133.67 9.07 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -166.83 -44.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.354 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt -88.65 14.13 10.72 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.414 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -94.29 143.79 26.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 28' ' ' SER . 10.7 m -110.66 137.9 41.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.468 179.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.4 ' NE2' ' HB2' ' A' ' 7' ' ' CYS . 26.2 tt0 -102.79 130.12 49.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 111.834 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -85.36 135.14 39.2 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.59 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -90.35 31.1 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 C-N-CA 122.526 2.15 . . . . 0.0 113.604 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -135.29 -47.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.811 0.339 . . . . 0.0 110.329 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.0 p -109.59 -6.05 15.5 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m 62.48 14.27 6.84 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.205 0.457 . . . . 0.0 112.18 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -90.47 140.46 29.71 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -103.06 144.93 30.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.004 0.43 . . . . 0.0 111.357 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.651 ' O ' HG22 ' A' ' 19' ' ' VAL . 11.8 p -140.38 142.77 35.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.727 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.8 m -55.35 138.4 45.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.367 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -23.14 64.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -86.69 163.53 17.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.876 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.1 p -124.3 150.47 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.154 0.502 . . . . 0.0 111.483 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.85 -34.32 74.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.758 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -57.58 -49.48 76.27 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.239 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -57.93 -48.22 80.57 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.3 m -62.34 -45.08 94.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.519 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -62.18 -22.76 66.16 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.55 -28.74 63.8 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.723 0.297 . . . . 0.0 111.429 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -123.56 41.34 3.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.261 0.553 . . . . 0.0 109.806 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 52.29 38.22 24.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.162 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 mt -113.12 168.93 9.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.545 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -132.02 122.92 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 tp -65.37 123.38 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -89.85 127.28 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.77 -17.12 64.43 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -79.99 -60.64 2.26 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 111.715 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 p -90.73 -12.21 37.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 37.8 m 63.78 31.96 13.85 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 122.141 -0.349 . . . . 0.0 110.79 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -120.17 174.85 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.242 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -102.57 135.88 43.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.756 0.312 . . . . 0.0 110.559 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -122.84 160.02 26.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -91.66 133.51 30.85 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.709 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.61 152.31 53.56 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.794 1.663 . . . . 0.0 112.394 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -161.08 91.5 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.796 0.332 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 60.88 157.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -101.83 -61.34 1.4 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.704 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -93.98 59.18 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.354 0.597 . . . . 0.0 110.637 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -150.19 87.22 5.01 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -56.74 179.28 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 121.872 1.715 . . . . 0.0 112.232 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.6 m -126.56 150.82 48.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.54 142.45 16.04 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.448 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.15 153.33 0.52 Allowed 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 122.828 2.352 . . . . 0.0 113.51 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -90.54 -57.17 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.784 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -78.44 -69.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -163.58 -164.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.585 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.81 -31.88 17.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.744 0.307 . . . . 0.0 110.809 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.5 ttm105 -87.33 -17.24 32.87 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 9.3 mmtp -68.51 65.18 0.11 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.162 0.506 . . . . 0.0 111.932 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -66.77 -25.27 66.4 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.71 -20.37 14.18 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 12.6 m-85 -88.81 142.66 27.48 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 28' ' ' SER . 5.9 m -104.38 122.42 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -99.85 128.6 45.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.6 142.7 86.52 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.14 -12.99 10.37 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 122.016 1.811 . . . . 0.0 113.787 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -104.97 -46.95 4.14 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -99.95 -17.04 17.75 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.2 m 64.14 33.64 11.72 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.761 0.315 . . . . 0.0 110.898 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -90.62 155.4 18.88 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 63.6 m -117.95 137.98 52.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.267 0.556 . . . . 0.0 111.971 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.667 ' O ' HG22 ' A' ' 19' ' ' VAL . 7.2 m -140.2 135.43 32.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.874 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.79 139.58 57.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.783 0.325 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -68.97 -29.97 68.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.232 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -90.32 163.51 14.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.9 p -120.29 149.06 42.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 111.314 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.86 -31.66 71.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.698 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.9 m -60.25 -43.44 96.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.14 -46.04 90.77 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.447 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -62.38 -46.73 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.367 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -66.25 -18.35 65.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.819 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.65 -27.17 69.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.591 0.234 . . . . 0.0 111.293 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -125.7 36.37 4.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 56.57 56.94 5.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.575 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD23 ' O ' ' A' ' 40' ' ' GLN . 54.9 mt -140.02 150.57 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.534 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.52 129.73 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.203 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -69.95 133.28 47.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -95.59 132.49 40.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.559 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -78.17 -17.23 57.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.85 -43.43 22.35 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 t -113.73 -10.47 13.04 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.4 m 65.54 33.34 8.7 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.089 -0.382 . . . . 0.0 110.814 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -118.2 168.17 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.037 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.4 m -98.94 141.63 31.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.752 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -120.98 163.22 18.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -115.97 128.74 25.74 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.568 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.72 -46.33 0.34 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.66 1.573 . . . . 0.0 112.663 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.86 -85.95 0.37 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.138 0 O-C-N 122.328 -0.232 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.756 0.312 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 60.29 30.22 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -65.51 -158.19 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.765 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 67.14 -152.27 0.2 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -150.36 -176.07 0.54 Allowed Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 118.63 0.65 . . . . 0.0 109.287 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -91.34 28.13 0.4 Allowed 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 122.128 1.886 . . . . 0.0 113.342 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 m -162.22 171.43 17.37 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.809 0.338 . . . . 0.0 111.091 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.3 -177.92 37.29 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.57 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.75 152.75 13.19 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.047 1.831 . . . . 0.0 112.96 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.1 m -90.35 -55.72 3.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.461 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.5 t -91.41 37.53 0.95 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.207 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 67.86 -68.2 0.17 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.532 0.206 . . . . 0.0 111.508 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -146.26 -44.7 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -46.13 -27.23 0.91 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 16' ' ' HIS . 20.2 pttm -37.14 133.45 0.65 Allowed 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.5 m80 -178.47 -43.82 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.757 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.71 -16.33 57.38 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 152.83 21.27 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 121.137 0.494 . . . . 0.0 111.261 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 28' ' ' SER . 15.8 m -100.03 138.7 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.929 178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -99.32 134.86 41.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.947 0.403 . . . . 0.0 111.28 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -86.24 142.06 35.44 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -89.54 33.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.448 2.098 . . . . 0.0 113.778 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -146.86 -49.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.095 0.474 . . . . 0.0 110.09 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -100.15 -18.73 16.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.58 179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 m 63.9 26.11 14.15 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -90.45 147.97 23.07 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.1 m -99.64 142.39 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.769 0.319 . . . . 0.0 110.705 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 19' ' ' VAL . 1.9 p -141.28 137.67 32.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.701 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 m -59.58 138.15 57.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.653 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -68.14 -53.2 26.88 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.402 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' HB3' HD11 ' A' ' 43' ' ' LEU . 52.7 t30 -58.43 161.33 4.53 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.72 0.295 . . . . 0.0 111.37 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.7 p -121.12 153.86 36.93 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 111.767 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.08 -33.18 68.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.01 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -60.64 -47.92 84.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.849 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -51.68 66.84 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.539 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.5 m -60.65 -44.31 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 0.0 110.455 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -64.09 -22.43 66.93 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.483 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.68 -29.17 67.89 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 120.719 0.295 . . . . 0.0 111.083 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' HD2' HD12 ' A' ' 41' ' ' LEU . 13.3 ptp180 -120.62 36.31 4.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.968 0.414 . . . . 0.0 110.555 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 53.21 65.56 1.48 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.17 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.493 HD13 ' CB ' ' A' ' 50' ' ' CYS . 93.9 mt -140.61 -178.69 5.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.47 107.18 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 31' ' ' ASN . 2.7 tp -55.26 130.96 44.29 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.051 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -96.12 111.79 23.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -16.14 22.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -79.39 -50.46 10.8 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.8 p -103.54 -9.64 19.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.6 m 68.53 29.9 5.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.23 -0.294 . . . . 0.0 110.957 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 mtt85 -114.46 162.78 16.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.493 ' CB ' HD13 ' A' ' 41' ' ' LEU . 61.3 m -92.53 138.3 31.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.323 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' HD22 ' A' ' 41' ' ' LEU . 16.9 t70 -114.29 162.94 15.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.869 0.366 . . . . 0.0 111.158 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -64.74 151.55 92.24 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.14 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.97 -168.55 0.64 Allowed 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 122.135 1.89 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.87 89.7 3.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.71 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.9 tpt85 -97.31 -53.92 3.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -170.5 -168.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 62.81 123.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.227 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -93.66 110.77 49.28 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.374 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -87.12 118.41 1.39 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.011 1.807 . . . . 0.0 113.656 -179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.0 m -108.61 135.01 50.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.736 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.6 131.38 10.75 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.571 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -43.01 142.83 2.08 Favored 'Trans proline' 0 C--N 1.363 1.302 0 C-N-CA 122.78 2.32 . . . . 0.0 113.665 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 m -90.56 -64.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.563 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.2 97.29 4.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.408 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -91.36 71.6 6.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.182 0.515 . . . . 0.0 111.289 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -150.15 -71.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.225 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -158.82 34.48 0.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.108 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.59 145.49 0.43 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -166.32 -45.41 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.064 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.687 HD22 ' HD3' ' A' ' 30' ' ' LYS . 27.4 mt -85.66 7.43 23.42 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.567 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -91.36 154.31 19.29 Favored 'General case' 0 C--O 1.232 0.163 0 O-C-N 122.047 -0.408 . . . . 0.0 111.126 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 28' ' ' SER . 4.6 m -123.37 118.74 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.444 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -100.51 133.26 45.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.115 0.483 . . . . 0.0 111.683 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.11 137.39 35.17 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.763 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.26 -4.41 13.12 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.919 1.746 . . . . 0.0 113.942 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -98.96 -50.32 4.23 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 117.799 0.272 . . . . 0.0 111.356 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 38.5 p -100.26 -11.04 20.7 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.8 m 61.75 26.88 16.4 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 117.887 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.96 178.27 6.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.8 m -140.25 139.22 35.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.953 0.406 . . . . 0.0 111.347 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.624 ' O ' HG22 ' A' ' 19' ' ' VAL . 13.2 m -140.42 135.97 32.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.73 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m -58.78 141.03 54.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.787 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.687 ' HD3' HD22 ' A' ' 17' ' ' LEU . 11.6 ptmt -71.76 -23.83 61.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -88.76 163.67 15.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.714 0.292 . . . . 0.0 111.091 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.5 p -123.32 152.86 41.02 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.143 0.497 . . . . 0.0 111.489 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -61.1 -33.87 74.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.762 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.5 m -58.41 -47.68 83.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -60.31 -46.84 88.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 78.0 m -63.22 -46.34 87.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.554 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -64.1 -18.97 64.92 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.835 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.75 65.7 Favored 'General case' 0 CA--C 1.529 0.162 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -128.8 38.62 3.92 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.138 0.494 . . . . 0.0 110.464 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.9 mp0 55.46 59.57 3.83 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.779 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 40' ' ' GLN . 28.0 mt -139.58 153.93 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.539 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -114.2 125.74 54.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.05 121.74 16.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -89.98 125.69 35.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.755 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -69.65 -10.75 59.48 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -79.91 -53.38 6.81 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 122.019 -0.425 . . . . 0.0 111.361 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -104.24 -8.58 19.23 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 20.6 m 63.84 36.52 10.31 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -124.09 172.02 9.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.263 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.1 m -99.27 138.57 36.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.785 0.326 . . . . 0.0 110.794 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -137.83 -177.05 4.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.648 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.89 128.12 44.92 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.732 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.64 148.42 47.21 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.775 1.65 . . . . 0.0 112.35 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -152.37 24.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.625 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.155 0 C-N-CA 121.325 -0.15 . . . . 0.0 110.714 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.757 0.313 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 60.5 34.32 20.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -87.67 -31.87 19.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -127.15 171.17 11.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.754 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -123.88 87.62 52.8 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.29 176.08 8.41 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 122.058 1.839 . . . . 0.0 112.624 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.9 m -135.95 154.82 50.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.61 178.28 53.34 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 120.748 -0.739 . . . . 0.0 114.417 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -68.02 -175.18 0.73 Allowed 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 122.813 2.342 . . . . 0.0 112.871 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.6 m -90.59 -84.76 0.23 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.16 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . 33.2 t -90.34 -162.36 0.89 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.448 0.166 . . . . 0.0 110.752 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -132.91 21.83 4.17 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -150.0 -70.52 0.19 Allowed 'General case' 0 CA--C 1.531 0.214 0 O-C-N 122.423 -0.173 . . . . 0.0 110.838 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -110.73 33.41 4.57 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.127 0.489 . . . . 0.0 110.26 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -49.1 -22.88 1.03 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -50.82 -23.57 2.87 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.7 mt -83.45 -9.87 58.73 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 15' ' ' LYS . 22.8 m-85 -88.92 162.11 16.28 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.158 0.504 . . . . 0.0 111.784 -178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 28' ' ' SER . 9.7 m -118.81 136.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.384 178.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.96 125.07 45.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 0.0 111.598 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.4 138.12 51.86 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.621 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -91.72 25.1 0.49 Allowed 'Trans proline' 0 C--N 1.362 1.286 0 C-N-CA 122.712 2.274 . . . . 0.0 113.053 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -121.21 -36.71 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.202 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 p -138.44 10.62 2.74 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m 54.63 25.38 6.32 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 122.093 -0.379 . . . . 0.0 111.819 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -90.32 145.54 24.89 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.96 144.68 31.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.165 0.507 . . . . 0.0 111.395 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 19' ' ' VAL . 41.2 t -140.35 142.51 35.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.641 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -63.34 138.21 58.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.647 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -63.26 -29.49 70.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.253 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -96.6 163.36 13.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -119.58 155.49 32.13 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 111.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.18 -33.77 75.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.774 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -44.8 89.2 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -62.07 -45.07 95.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.447 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.3 m -62.08 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -65.79 -18.44 65.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.97 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.72 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.548 0.213 . . . . 0.0 111.426 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.9 mmm-85 -129.01 39.3 3.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-O 120.98 0.419 . . . . 0.0 110.456 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.535 ' O ' HD23 ' A' ' 41' ' ' LEU . 24.2 mp0 55.37 59.3 4.01 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.888 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 40' ' ' GLN . 17.7 mt -140.07 152.94 46.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.639 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -115.21 128.47 56.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 49' ' ' ARG . 56.7 tp -70.48 121.53 17.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -89.78 126.82 35.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.92 -9.5 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -79.62 -54.43 5.89 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 121.953 -0.467 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -101.97 -8.51 21.46 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m 62.21 36.42 14.92 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 120.928 0.394 . . . . 0.0 110.853 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 43' ' ' LEU . 41.2 mmm-85 -125.39 175.58 7.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.049 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.3 m -100.0 143.86 29.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.675 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -129.35 166.31 19.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.993 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.72 98.01 45.99 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.531 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -87.25 -72.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.145 1.897 . . . . 0.0 113.064 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -155.62 -134.87 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 119.038 -0.506 . . . . 0.0 109.778 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.347 0.466 0 CA-C-N 119.647 1.112 . . . . 0.0 110.664 -179.753 . . . . . . . . 1 1 . 1 stop_ save_