data_2n2q_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 2n2q _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp . . . . . 0 N--CA 1.44 -0.939 0 CA-C-O 120.886 0.374 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.64 140.35 43.58 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -110.19 124.57 51.82 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.426 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.07 107.07 12.57 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.03 138.67 19.73 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.604 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.18 142.17 59.94 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.444 2.096 . . . . 0.0 112.352 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -90.64 144.35 25.84 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.89 -19.61 19.09 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 p -75.53 -54.56 6.81 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 123.689 0.795 . . . . 0.0 110.765 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -79.51 135.85 36.74 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -146.36 157.95 43.84 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.56 -105.81 3.01 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.828 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -135.51 143.75 45.95 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 37.0 t -109.29 104.58 13.73 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.24 -20.53 12.19 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.078 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 p -127.06 115.15 18.75 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.33 0.586 . . . . 0.0 110.941 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 p -73.15 -23.1 60.41 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.0 p -68.89 -40.64 79.1 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.139 0.495 . . . . 0.0 110.259 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.05 -34.18 50.58 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 22.2 t -56.95 -51.15 70.32 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 123.486 0.492 . . . . 0.0 109.774 173.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -64.21 -41.28 97.11 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -59.84 -44.41 94.11 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.93 -48.37 78.43 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.496 0.498 . . . . 0.0 110.731 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.7 m -63.42 -40.5 97.35 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.92 -32.0 65.01 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.301 0.572 . . . . 0.0 110.78 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.93 -47.67 18.09 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.267 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -73.37 -46.55 48.4 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.161 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.7 -167.35 1.85 Allowed 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.27 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -91.05 26.51 2.12 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.274 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -88.32 78.57 7.96 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.99 63.64 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.465 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 53' ' ' GLN . 88.5 m-85 -85.6 -1.71 57.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.056 0.455 . . . . 0.0 110.779 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.5 -131.32 10.29 Favored Glycine 0 N--CA 1.424 -2.154 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.421 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.6 173.13 45.52 Favored Glycine 0 N--CA 1.419 -2.439 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.09 163.3 33.97 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.403 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 75.2 m -87.3 114.17 23.67 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.626 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 44.8 t60 -119.51 139.89 51.36 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 44.2 t80 -80.71 128.94 34.21 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 121.501 0.667 . . . . 0.0 110.399 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -138.49 166.41 24.36 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -78.01 133.29 65.53 Favored Pre-proline 0 C--N 1.292 -1.924 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -101.41 3.9 19.33 Favored 'Cis proline' 0 CA--C 1.554 1.482 0 N-CA-C 114.681 0.993 . . . . 0.0 114.681 0.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.5 m -145.59 167.78 22.24 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.443 -0.786 . . . . 0.0 112.266 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.2 t -66.86 119.37 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -119.79 161.83 20.12 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.19 126.21 31.81 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 18.7 m-85 -120.71 124.09 44.31 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.7 m -83.41 141.62 31.59 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.336 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.22 109.08 21.91 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.086 0.469 . . . . 0.0 110.833 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -99.35 160.36 14.33 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HB2' ' CE2' ' A' ' 35' ' ' TYR . 40.2 tt0 -89.62 137.61 32.19 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.276 -2.598 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.542 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 CA--C 1.49 -1.35 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 mt -118.31 141.32 48.64 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.93 120.83 41.84 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -91.35 106.21 18.33 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -101.27 135.0 19.98 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.2 120.24 7.62 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.254 1.97 . . . . 0.0 112.048 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -78.96 116.28 19.18 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.91 73.54 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.291 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -8.59 56.76 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.45 ' HB2' ' OE1' ' A' ' 26' ' ' GLN . 25.0 t-105 -100.75 124.65 46.68 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 t -125.09 141.21 52.26 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.57 -164.45 29.19 Favored Glycine 0 N--CA 1.433 -1.507 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -72.3 146.22 47.33 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 123.276 0.63 . . . . 0.0 110.37 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 t -109.74 100.11 9.17 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.34 -46.72 1.39 Allowed Glycine 0 N--CA 1.439 -1.146 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -83.01 102.59 11.85 Favored 'General case' 0 N--CA 1.424 -1.756 0 CA-C-O 121.112 0.482 . . . . 0.0 110.092 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -65.32 -30.61 71.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.106 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 m -73.34 -27.07 61.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.808 0.337 . . . . 0.0 111.352 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -74.98 -34.6 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.05 -48.04 75.21 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.985 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.422 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 12.7 p -64.12 -40.79 96.95 Favored 'General case' 0 N--CA 1.434 -1.245 0 O-C-N 122.23 -0.294 . . . . 0.0 111.16 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.05 -44.69 97.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.45 ' OE1' ' HB2' ' A' ' 13' ' ' TRP . 36.1 tt0 -59.18 -52.42 65.79 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.619 0.574 . . . . 0.0 110.604 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -66.14 -32.28 73.63 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -71.12 -31.61 67.97 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.684 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -81.05 -48.4 12.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.672 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -72.74 -46.98 50.71 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.399 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -103.05 -168.22 1.49 Allowed 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -177.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -114.7 24.17 12.04 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -93.74 116.3 28.78 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 121.172 0.51 . . . . 0.0 111.591 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.31 73.76 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.834 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -71.35 -13.25 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.229 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.77 9.85 Favored Glycine 0 N--CA 1.436 -1.362 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.87 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -163.47 161.28 33.97 Favored Glycine 0 N--CA 1.422 -2.246 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.63 162.17 35.74 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.3 m -90.68 128.13 36.54 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.591 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -139.94 151.69 45.76 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -82.35 139.29 34.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.37 0.605 . . . . 0.0 110.803 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -151.96 164.7 36.6 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.65 130.37 93.13 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -111.48 23.4 3.04 Favored 'Cis proline' 0 CA--C 1.555 1.569 0 C-N-CA 125.079 -0.8 . . . . 0.0 113.746 -1.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 t -159.98 164.64 33.14 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -174.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 50.0 t -68.92 117.32 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -116.27 167.36 11.09 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.3 129.16 36.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -124.3 118.6 27.14 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.4 m -71.85 126.32 29.44 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 124.235 0.96 . . . . 0.0 108.988 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 26.6 mtpp -95.97 104.9 16.86 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -97.96 147.43 24.49 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -80.26 121.55 25.78 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 C--O 1.265 1.871 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.324 -179.327 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 CA--C 1.496 -1.121 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 47.9 mt -118.08 133.81 55.56 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.34 140.13 38.92 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.445 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -78.95 122.98 26.83 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 123.749 0.656 . . . . 0.0 111.236 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -118.1 116.93 35.56 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -48.84 132.83 27.13 Favored 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.16 2.574 . . . . 0.0 112.179 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -80.1 106.96 12.51 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.82 50.46 3.62 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.355 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 p -152.33 -58.25 0.14 Allowed 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.493 1.117 . . . . 0.0 109.002 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -63.67 123.88 19.98 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.515 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 m -125.57 124.91 42.3 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.83 -154.18 16.76 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -83.22 139.95 32.82 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.088 0.555 . . . . 0.0 110.298 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 16.6 t -97.15 100.31 11.79 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.04 8.36 27.25 Favored Glycine 0 N--CA 1.438 -1.21 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.88 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -135.52 102.59 5.17 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -69.04 -31.81 70.87 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 m -70.29 -40.79 74.08 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.15 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -78.07 -32.9 50.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.409 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 31.1 t -57.72 -49.18 77.38 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.339 0.59 . . . . 0.0 110.005 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 13.5 p -68.22 -47.74 67.02 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.298 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -52.91 -52.28 58.25 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.289 0.635 . . . . 0.0 111.393 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -62.74 -40.18 96.4 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.378 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.207 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -67.73 -27.29 66.67 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.389 0.614 . . . . 0.0 110.185 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -83.64 -51.73 7.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.578 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -82.28 -44.9 15.69 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.047 0.451 . . . . 0.0 112.024 -174.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -99.36 -166.55 1.36 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -128.52 78.15 1.82 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.449 0.643 . . . . 0.0 109.705 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.26 114.64 14.01 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.628 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.63 81.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.274 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.89 -11.37 59.99 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.272 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.72 -110.21 3.08 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.968 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -172.84 179.57 44.22 Favored Glycine 0 N--CA 1.417 -2.58 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -176.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.9 164.86 37.7 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.7 m -92.41 121.76 34.2 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -138.67 148.81 44.46 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -79.79 133.75 36.32 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.271 0.557 . . . . 0.0 111.071 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -137.86 -76.4 0.39 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.401 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -175.07 137.45 0.56 Allowed Pre-proline 0 C--N 1.272 -2.773 0 CA-C-N 114.035 -1.439 . . . . 0.0 107.313 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -93.94 8.95 53.66 Favored 'Cis proline' 0 CA--C 1.535 0.571 0 C-N-CA 124.072 -1.22 . . . . 0.0 111.057 -3.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -155.84 -179.3 8.0 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.515 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.7 t -61.88 121.33 9.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -119.5 164.18 16.18 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.12 121.07 31.08 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.94 128.51 50.37 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.97 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.9 m -75.71 143.03 42.31 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.39 112.26 24.9 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.239 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 13.4 ptm180 -98.96 148.56 23.86 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.302 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -76.3 119.56 20.35 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 123.867 0.729 . . . . 0.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 C--N 1.29 -2.011 0 CA-C-O 118.11 -0.948 . . . . 0.0 109.37 178.735 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 mptt . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 78.7 mt -103.77 134.79 46.49 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.664 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.4 131.54 50.4 Favored 'General case' 0 C--N 1.279 -2.464 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.92 103.13 9.6 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.57 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.66 117.16 67.48 Favored Pre-proline 0 C--N 1.304 -1.387 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.25 116.16 3.21 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.402 2.068 . . . . 0.0 111.295 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.431 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 40.3 t -70.13 119.25 14.05 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.76 -16.89 57.61 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.0 p -80.23 -27.76 38.69 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-O 121.386 0.613 . . . . 0.0 111.119 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -85.35 128.74 34.81 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -102.3 112.48 25.2 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.14 -141.05 21.23 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 114.687 0.635 . . . . 0.0 114.687 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 71.7 t60 -65.9 135.34 54.66 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.491 1.117 . . . . 0.0 112.297 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.39 103.0 14.87 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.13 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.85 24.03 20.23 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.002 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -157.41 106.8 2.16 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.663 0.268 . . . . 0.0 110.334 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 -39.68 95.04 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -67.79 -40.33 83.96 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.651 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -76.58 -31.25 57.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.981 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.4 t -62.05 -48.8 78.62 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.517 0.675 . . . . 0.0 109.545 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 9.7 p -67.42 -43.18 81.87 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.535 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.03 -42.82 95.23 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.123 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.19 -59.53 4.43 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.494 0.318 . . . . 0.0 111.723 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.4 m -73.07 -26.52 61.3 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -77.28 -31.0 54.57 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.246 0.546 . . . . 0.0 110.62 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -84.68 -41.4 16.32 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -76.85 -54.71 6.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.175 0.512 . . . . 0.0 111.339 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -107.13 -164.2 0.97 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -112.0 38.47 2.66 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.231 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 33.7 m-85 -78.34 102.75 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.1 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.957 0.408 . . . . 0.0 111.847 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -89.55 -9.34 50.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.037 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.11 -89.99 0.34 Allowed Glycine 0 N--CA 1.429 -1.819 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.58 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . 172.99 174.89 40.43 Favored Glycine 0 N--CA 1.417 -2.577 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.28 162.21 38.61 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -82.46 111.0 18.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.61 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.4 t-160 -113.98 144.8 42.49 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 64.6 t80 -73.62 137.3 44.12 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.501 0.667 . . . . 0.0 111.188 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.89 159.49 42.07 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -80.43 132.02 60.03 Favored Pre-proline 0 C--N 1.296 -1.758 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.862 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -105.12 15.04 10.52 Favored 'Cis proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.882 -0.882 . . . . 0.0 111.76 -4.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -138.77 148.16 43.51 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 122.125 -0.359 . . . . 0.0 111.094 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 16' ' ' HIS . 98.3 t -61.62 125.36 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.384 -0.825 . . . . 0.0 108.832 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 10' ' ' SER . 84.8 tttt -123.74 164.97 18.08 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.25 125.55 30.45 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 36.5 m-85 -121.96 116.15 23.82 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.7 m -81.19 116.2 20.97 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 68.2 mttm -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.438 -174.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -98.93 155.58 17.33 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.996 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.74 123.56 26.84 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.286 -2.182 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.957 176.225 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.3 mptt . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.6 mt -124.19 150.96 44.61 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 m -118.33 143.94 46.24 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -85.1 109.7 18.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 123.621 0.576 . . . . 0.0 111.091 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.41 117.05 59.17 Favored Pre-proline 0 C--N 1.294 -1.81 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.63 112.3 1.57 Allowed 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.114 1.876 . . . . 0.0 111.574 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -70.74 113.18 7.57 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.505 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.0 78.34 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.74 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -77.69 -11.0 59.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 121.175 0.512 . . . . 0.0 110.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -106.91 106.88 17.63 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.0 t -112.36 138.55 48.93 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.81 -167.25 14.45 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -80.07 142.15 35.17 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 122.44 0.296 . . . . 0.0 110.237 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 32.7 t -103.77 102.95 12.78 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.2 -1.57 20.41 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.015 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -127.6 104.13 7.71 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 122.392 -0.476 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 p -63.56 -35.25 79.88 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -66.16 -36.58 83.48 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.649 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -79.99 -33.38 39.45 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.394 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 26.1 t -57.57 -50.65 72.41 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -66.41 -44.82 81.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.868 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.53 -57.15 12.5 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 123.15 0.58 . . . . 0.0 111.822 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -61.73 -39.85 93.01 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.38 0.425 . . . . 0.0 111.163 -176.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.67 -40.81 88.75 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.022 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 56.7 mtmt -74.58 -23.69 58.79 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.417 0.627 . . . . 0.0 110.914 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.46 -46.72 30.83 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.365 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -84.52 -54.91 4.43 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.244 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.92 -179.74 4.03 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.261 0.553 . . . . 0.0 110.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -107.37 80.22 1.39 Allowed 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.606 0.717 . . . . 0.0 111.71 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 64.3 m-85 -116.26 106.14 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.588 176.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.23 69.09 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.348 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -97.75 -0.26 45.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.412 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.46 -118.74 11.29 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.947 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.98 174.03 44.11 Favored Glycine 0 N--CA 1.416 -2.655 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.83 161.21 43.03 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.41 128.92 34.71 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.63 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 34.0 t60 -137.08 148.27 46.63 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -74.5 133.9 42.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 122.272 1.034 . . . . 0.0 113.59 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -147.07 145.04 29.51 Favored 'General case' 0 N--CA 1.412 -2.358 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -69.1 139.36 90.19 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -98.12 -0.45 29.76 Favored 'Cis proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.177 -1.176 . . . . 0.0 113.886 0.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 p -144.38 140.01 28.79 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 119.574 -0.251 . . . . 0.0 110.731 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.2 t -47.34 124.24 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.341 1.026 . . . . 0.0 110.464 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -115.4 168.73 9.73 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -173.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -85.59 125.1 32.86 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.63 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 55.1 m-85 -119.13 109.72 16.22 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-O 121.122 0.487 . . . . 0.0 111.017 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -67.4 140.03 57.16 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.046 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -101.56 113.41 26.52 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm85 -100.18 147.38 25.77 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.553 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -72.47 123.77 23.8 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 C--N 1.283 -2.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm . . . . . 0 N--CA 1.432 -1.347 0 CA-C-O 121.438 0.637 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.45 133.23 44.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.183 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.98 128.26 38.78 Favored 'General case' 0 C--N 1.262 -3.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.175 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -89.54 127.0 35.82 Favored 'General case' 0 CA--C 1.481 -1.691 0 O-C-N 124.282 0.989 . . . . 0.0 109.75 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -121.38 140.36 31.26 Favored Pre-proline 0 C--N 1.282 -2.368 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -59.5 123.17 12.79 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.013 1.809 . . . . 0.0 109.462 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -64.76 112.0 3.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 121.116 0.484 . . . . 0.0 110.453 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.04 -1.73 88.0 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.819 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -108.56 -18.58 13.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -89.23 141.21 28.73 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -115.63 106.29 13.74 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.958 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.28 -144.65 18.05 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 115.478 0.951 . . . . 0.0 115.478 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.12 137.15 56.84 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 124.953 1.301 . . . . 0.0 111.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 t -100.57 100.69 11.46 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.27 13.43 18.93 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -136.91 94.05 2.92 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 m -64.12 -50.13 69.48 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.926 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -65.59 -35.17 80.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.953 0.406 . . . . 0.0 110.44 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -66.11 -43.83 86.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.252 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.5 t -57.14 -45.01 83.93 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 123.707 0.629 . . . . 0.0 109.978 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.442 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 14.8 m -60.05 -54.63 43.7 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.797 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -68.06 -44.67 75.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.2 m -65.39 -40.24 93.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.675 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -70.67 -23.31 62.48 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.642 0.734 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.11 -50.44 16.36 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.418 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -67.37 -57.55 6.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 41.2 mt-10 -120.82 176.45 5.53 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -86.82 76.65 9.42 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.956 0.884 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 79.1 m-85 -99.28 105.38 17.38 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.403 174.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -26.2 66.42 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 123.572 0.545 . . . . 0.0 112.244 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.03 10.86 17.58 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.084 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.62 -101.75 0.49 Allowed Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.307 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -175.73 168.01 40.13 Favored Glycine 0 N--CA 1.422 -2.251 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.75 156.37 45.59 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 117.145 0.473 . . . . 0.0 109.906 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.6 m -76.8 119.93 21.26 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 30.8 t-80 -131.13 127.16 37.52 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.379 0.609 . . . . 0.0 110.747 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.8 t80 -85.91 115.7 23.69 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -130.98 -69.28 0.64 Allowed 'General case' 0 C--N 1.287 -2.11 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.183 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -165.1 130.98 2.08 Favored Pre-proline 0 C--N 1.267 -2.996 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.396 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -97.71 7.76 35.4 Favored 'Cis proline' 0 CA--C 1.534 0.518 0 C-N-CA 124.693 -0.961 . . . . 0.0 110.374 -5.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.8 m -150.95 -179.39 7.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.7 p -86.88 115.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.968 0.89 . . . . 0.0 110.855 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -122.05 165.04 16.66 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.116 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 t -78.24 125.14 28.93 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 64.1 m-85 -119.53 115.26 23.67 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.0 m -75.1 140.48 43.47 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -116.94 114.63 24.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -110.7 148.07 33.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.102 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.81 132.4 45.25 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.302 -1.49 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.358 174.41 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.243 0.747 0 CA-C-O 120.854 0.359 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.0 mt -125.9 143.24 51.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.0 m -110.79 129.97 55.7 Favored 'General case' 0 C--N 1.279 -2.484 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -88.66 107.41 18.92 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.6 m -102.35 134.83 19.76 Favored Pre-proline 0 C--N 1.306 -1.299 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.633 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.96 119.6 6.79 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.472 2.115 . . . . 0.0 112.067 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 m -79.01 113.41 17.11 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.903 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 -17.34 79.32 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 111.828 -0.509 . . . . 0.0 111.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -72.33 -22.62 61.15 Favored 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.025 0.93 . . . . 0.0 110.947 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -98.24 135.94 39.15 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -133.5 122.15 23.21 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -169.48 12.95 Favored Glycine 0 N--CA 1.421 -2.352 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.353 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -71.55 136.24 47.39 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 123.389 0.676 . . . . 0.0 110.775 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.8 t -90.23 99.88 12.81 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.17 -38.68 3.98 Favored Glycine 0 N--CA 1.427 -1.953 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.544 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.4 t -106.52 109.42 21.33 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 120.883 0.373 . . . . 0.0 110.059 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -64.62 -31.9 73.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.675 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 t -67.19 -40.7 86.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.486 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -72.38 -33.19 67.03 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.359 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.54 -47.43 85.58 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 123.318 0.386 . . . . 0.0 110.025 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 m -61.73 -48.9 78.63 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.848 0.356 . . . . 0.0 110.264 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.12 -43.58 91.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.405 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -58.32 -48.83 79.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.65 -44.23 96.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.617 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.66 -21.9 61.01 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.0 0.429 . . . . 0.0 111.6 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -85.7 -49.58 7.86 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.7 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 26' ' ' GLN . 10.1 mpt_? -78.02 -49.54 13.82 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -178.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.49 -165.64 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -128.54 90.09 3.0 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.27 108.89 7.45 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.6 67.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.501 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 96.9 m-85 -88.82 3.16 52.09 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -127.2 36.24 Favored Glycine 0 N--CA 1.437 -1.288 0 CA-C-N 115.681 -0.691 . . . . 0.0 113.151 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.78 163.55 37.12 Favored Glycine 0 N--CA 1.412 -2.957 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.21 162.1 36.51 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.95 115.29 16.61 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 18.1 t60 -120.86 132.09 54.79 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 59.2 t80 -66.06 132.65 49.02 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 121.643 0.735 . . . . 0.0 111.907 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -135.64 159.29 42.09 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -80.26 131.84 61.13 Favored Pre-proline 0 C--N 1.291 -1.968 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.509 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -104.04 15.91 13.07 Favored 'Cis proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.829 -0.904 . . . . 0.0 112.601 -2.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 p -143.68 142.61 31.07 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.639 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' C ' ' A' ' 40' ' ' HIS . 3.9 p -66.93 126.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.578 0.704 . . . . 0.0 110.975 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -124.05 165.89 16.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.333 -172.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.4 t -76.2 126.59 31.28 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 122.817 0.447 . . . . 0.0 110.038 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 10.4 m-85 -125.48 121.04 32.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.151 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.9 m -71.51 137.36 48.08 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 26.7 mtpp -96.7 103.43 15.35 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -93.99 149.38 21.28 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -82.32 122.1 27.53 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.9 m . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.72 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp . . . . . 0 N--CA 1.428 -1.563 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.4 mt -103.42 136.12 43.77 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.55 130.62 46.64 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.416 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.61 105.06 11.57 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.07 122.84 41.75 Favored Pre-proline 0 C--N 1.304 -1.41 0 C-N-CA 123.437 0.695 . . . . 0.0 109.81 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.74 114.08 1.84 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.486 2.124 . . . . 0.0 111.194 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -61.27 133.2 55.64 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 123.704 0.802 . . . . 0.0 110.806 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.2 -30.92 58.13 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.9 t -66.38 -30.25 70.59 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -107.48 110.32 22.23 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.766 -173.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -109.68 131.86 54.67 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -168.38 14.59 Favored Glycine 0 N--CA 1.436 -1.331 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.481 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -65.54 137.41 57.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.387 0.675 . . . . 0.0 111.18 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 31.4 t -116.65 111.54 19.99 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.14 31.68 3.12 Favored Glycine 0 N--CA 1.438 -1.212 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -149.19 94.67 2.26 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -58.58 -51.14 71.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.831 0.852 . . . . 0.0 113.019 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -69.92 -32.23 70.4 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.156 -0.34 . . . . 0.0 111.296 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.22 -42.28 80.05 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.9 t -56.22 -50.91 69.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.377 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.15 -49.13 79.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.754 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -64.16 -44.23 92.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -68.0 -38.16 82.29 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.98 -56.31 23.28 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.351 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.4 -27.18 68.91 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.494 0.496 . . . . 0.0 112.264 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.82 -53.29 9.4 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -79.25 -59.69 2.66 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.93 175.11 8.8 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -120.04 86.29 2.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.78 -0.575 . . . . 0.0 109.61 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -129.1 99.05 5.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.595 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.25 -13.28 57.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.644 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 94.3 m-85 -87.37 -4.62 59.04 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -159.99 43.7 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.73 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.86 168.57 29.98 Favored Glycine 0 N--CA 1.427 -1.931 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.42 161.76 41.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.2 m -81.98 124.34 29.68 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 t-80 -127.59 132.5 49.81 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 12.2 t80 -90.21 115.11 27.19 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 58.8 tt0 -125.72 172.27 9.94 Favored 'General case' 0 C--N 1.268 -2.95 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.414 ' N ' ' HG2' ' A' ' 42' ' ' GLN . 91.2 t80 -68.13 127.34 93.29 Favored Pre-proline 0 C--N 1.278 -2.5 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -103.84 2.65 12.9 Favored 'Cis proline' 0 CA--C 1.557 1.63 0 N-CA-C 114.906 1.079 . . . . 0.0 114.906 -0.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 p -145.35 169.62 17.92 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 4.8 p -89.43 117.64 33.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 122.148 0.975 . . . . 0.0 110.907 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -124.48 -179.64 4.56 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -87.73 126.47 35.0 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 23.4 m-85 -123.15 118.76 28.41 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 120.966 0.412 . . . . 0.0 110.341 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -80.39 150.03 29.97 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.412 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 61.8 mttp -98.16 111.1 23.55 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -101.01 160.92 13.97 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.556 -0.857 . . . . 0.0 108.912 174.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 131.96 34.21 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--N 1.294 -1.809 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.549 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.444 -0.729 0 CA-C-O 121.468 0.652 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 mt -112.31 124.48 52.57 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.3 m -99.05 132.66 44.2 Favored 'General case' 0 C--N 1.254 -3.569 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.569 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.3 117.86 23.27 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.295 -175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.8 109.75 55.1 Favored Pre-proline 0 C--N 1.296 -1.758 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.04 130.74 26.58 Favored 'Trans proline' 0 C--N 1.332 -0.331 0 C-N-CA 122.204 1.936 . . . . 0.0 113.207 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 m -72.8 122.51 21.68 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.33 -35.19 15.07 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 t -62.26 -36.75 82.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.739 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -72.67 108.58 5.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 p -104.62 107.99 19.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.007 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.39 -168.85 18.41 Favored Glycine 0 N--CA 1.42 -2.381 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.799 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -70.5 150.11 46.49 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 124.194 0.997 . . . . 0.0 111.528 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.9 t -108.49 111.37 23.2 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' C ' ' HG ' ' A' ' 19' ' ' SER . . . -130.55 32.13 3.12 Favored Glycine 0 N--CA 1.431 -1.694 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 176.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' A' ' 18' ' ' GLY . 50.1 m -152.39 104.94 2.97 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 m -67.17 -52.48 40.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.4 m -63.52 -40.11 96.2 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.402 0.144 . . . . 0.0 111.303 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.3 -36.59 84.61 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.57 -44.81 85.59 Favored 'General case' 0 C--O 1.251 1.142 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.9 m -59.34 -53.35 59.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.135 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -63.29 -39.65 95.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.679 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.1 tm0? -61.3 -52.49 64.47 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 122.577 0.351 . . . . 0.0 111.215 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.15 -28.45 54.18 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.399 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.86 -27.07 61.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.056 0.455 . . . . 0.0 109.905 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.84 -49.4 18.1 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.842 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 13.4 mmm180 -66.22 -55.8 14.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.519 -177.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -116.37 -172.16 2.13 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.998 0.427 . . . . 0.0 110.323 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -103.69 91.0 3.83 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -128.96 109.24 11.07 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.771 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.36 64.64 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.824 -176.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.11 8.61 38.68 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.86 -106.27 1.05 Allowed Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.226 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.93 167.45 35.99 Favored Glycine 0 N--CA 1.42 -2.392 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.18 175.39 11.42 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.68 123.94 28.6 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.8 t60 -134.11 149.24 51.08 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 77.6 t80 -90.39 134.06 34.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.257 1.027 . . . . 0.0 112.786 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -151.27 155.28 38.44 Favored 'General case' 0 C--N 1.275 -2.632 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 168.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.609 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 85.8 t80 -61.49 140.38 94.89 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.609 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 69.7 Cg_endo -94.06 -6.16 35.88 Favored 'Cis proline' 0 CA--C 1.539 0.732 0 N-CA-C 115.799 1.423 . . . . 0.0 115.799 4.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -160.17 162.04 33.77 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 64.0 t -58.62 116.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 O-C-N 123.96 0.788 . . . . 0.0 108.928 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -123.45 172.1 8.97 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.9 t -74.91 121.37 21.78 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.32 0.648 . . . . 0.0 109.647 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 m-85 -120.47 122.77 41.39 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.687 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -75.45 136.59 40.68 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.546 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -106.85 107.34 18.32 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.854 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 10.6 ptm180 -104.02 158.14 16.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.817 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -78.58 121.47 24.67 Favored 'General case' 0 N--CA 1.419 -2.005 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.276 -2.621 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.426 178.101 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 N--CA 1.436 -1.173 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 61.1 mt -118.14 139.33 51.42 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.936 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -107.17 131.9 53.63 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.67 115.88 26.52 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.56 144.77 34.84 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.96 123.89 14.73 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.561 2.174 . . . . 0.0 111.512 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t -80.9 131.8 35.38 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.81 -27.28 35.2 Favored Glycine 0 N--CA 1.434 -1.471 0 C-N-CA 120.164 -1.017 . . . . 0.0 110.613 176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.5 p -69.0 -29.24 67.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.108 0.48 . . . . 0.0 112.127 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -110.65 117.08 32.53 Favored 'General case' 0 N--CA 1.427 -1.616 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.358 -175.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -114.73 151.3 33.94 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.68 -155.08 30.23 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.68 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -76.29 132.99 40.15 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.247 0.546 . . . . 0.0 111.063 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.99 101.25 13.58 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.65 -50.31 0.91 Allowed Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.706 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -85.18 91.42 8.13 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-O 121.331 0.586 . . . . 0.0 110.064 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -60.95 -50.96 71.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.545 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.72 -31.95 72.93 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.87 0.366 . . . . 0.0 110.312 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.08 -38.39 75.7 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.35 -36.43 81.39 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.547 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.522 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.2 m -59.42 -51.56 69.37 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -60.28 -49.39 77.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.626 0.579 . . . . 0.0 110.356 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -54.88 -51.75 65.0 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.638 0.775 . . . . 0.0 111.777 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 44.1 t -69.22 -34.99 75.71 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.1 -29.73 66.77 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.704 0.764 . . . . 0.0 110.21 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.51 -50.92 8.82 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.265 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -87.09 -35.99 18.38 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -174.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 41.8 mm-40 -101.48 -173.0 2.26 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.887 0.375 . . . . 0.0 110.136 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -109.34 56.43 0.62 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -131.96 103.17 6.15 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.79 68.11 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 123.405 0.682 . . . . 0.0 112.771 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -90.77 -4.3 56.77 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 121.046 0.45 . . . . 0.0 111.379 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.3 -122.0 10.66 Favored Glycine 0 N--CA 1.422 -2.245 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.522 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.84 171.23 35.44 Favored Glycine 0 N--CA 1.415 -2.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 167.76 21.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.4 m -88.6 130.5 35.25 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.509 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.0 t-80 -143.97 135.38 25.83 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -77.09 132.47 38.89 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.378 0.608 . . . . 0.0 111.209 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -142.98 139.89 30.82 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -54.59 129.3 62.75 Favored Pre-proline 0 C--N 1.308 -1.198 0 CA-C-N 118.566 0.621 . . . . 0.0 110.611 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -108.65 23.07 5.88 Favored 'Cis proline' 0 CA--C 1.553 1.446 0 N-CA-C 115.138 1.168 . . . . 0.0 115.138 2.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 p -151.02 161.88 41.89 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.1 104.35 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 174.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -106.1 165.26 11.35 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.6 131.15 45.79 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.509 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 41.2 m-85 -117.57 125.08 50.17 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.736 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HA ' ' CA ' ' A' ' 37' ' ' GLY . 99.3 m -77.84 133.84 38.1 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -99.05 105.91 18.08 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.4 ptm180 -94.48 154.38 17.45 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.66 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.45 125.53 27.06 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.819 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.3 -1.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.081 176.365 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 N--CA 1.439 -1.024 0 CA-C-O 120.954 0.406 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.0 mt -113.85 136.15 53.19 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.751 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.2 m -107.08 150.49 26.49 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.276 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.45 120.88 31.93 Favored 'General case' 0 CA--C 1.498 -1.045 0 O-C-N 123.398 0.436 . . . . 0.0 110.294 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.44 136.48 27.2 Favored Pre-proline 0 C--N 1.3 -1.56 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.391 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -65.05 126.88 17.28 Favored 'Trans proline' 0 C--O 1.242 0.722 0 C-N-CA 122.213 1.942 . . . . 0.0 111.423 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.7 p -70.48 140.69 51.97 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.532 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.28 -35.53 6.6 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.23 -23.32 51.34 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -86.44 124.81 33.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -127.7 140.29 52.17 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.72 -149.66 16.64 Favored Glycine 0 N--CA 1.426 -1.971 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -93.28 143.6 26.11 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.751 0.82 . . . . 0.0 109.086 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.27 100.88 12.6 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.98 23.09 8.35 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 t -148.79 106.07 3.63 Favored 'General case' 0 N--CA 1.419 -1.994 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -71.66 -31.06 66.41 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.633 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 p -80.01 -41.33 26.02 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.081 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.65 -26.78 60.92 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.27 -51.62 69.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 173.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m -59.28 -51.75 68.6 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-O 121.108 0.48 . . . . 0.0 110.645 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.71 -55.46 34.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.868 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.4 -37.65 88.09 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.585 0.231 . . . . 0.0 110.497 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.6 t -54.92 -60.96 2.66 Favored 'General case' 0 C--O 1.299 3.691 0 C-N-CA 123.367 0.667 . . . . 0.0 110.804 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 48.0 mtmt -62.33 -50.58 71.06 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.728 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.27 -46.35 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.187 0.929 . . . . 0.0 112.337 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -70.17 -67.21 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -177.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -171.47 22.6 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 117.636 -1.625 . . . . 0.0 114.518 -170.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 70.7 m80 -106.52 -112.92 0.27 Allowed 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.374 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 73.1 m-85 -133.87 153.75 51.53 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.043 -171.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -14.53 61.36 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.501 1.12 . . . . 0.0 112.032 -177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 90.7 m-85 -85.55 -1.58 57.25 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.956 0.408 . . . . 0.0 111.055 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.75 -146.35 38.34 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.107 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.41 169.21 41.84 Favored Glycine 0 N--CA 1.414 -2.778 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.97 27.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.3 m -78.4 119.78 22.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 49.0 t-80 -129.52 129.95 45.17 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 49.5 t80 -68.87 140.88 55.19 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.603 0.716 . . . . 0.0 112.43 -176.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -154.07 151.44 29.31 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.51 137.66 97.2 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -101.8 7.81 18.09 Favored 'Cis proline' 0 CA--C 1.553 1.45 0 C-N-CA 124.42 -1.075 . . . . 0.0 114.04 0.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -160.11 152.13 20.39 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.2 p -58.51 127.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 O-C-N 123.896 0.747 . . . . 0.0 111.518 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -113.43 164.79 13.15 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.461 -173.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.42 113.55 20.25 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.7 m-85 -107.87 119.69 40.16 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.23 0.538 . . . . 0.0 109.876 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.1 m -85.17 149.01 25.82 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.112 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 48.7 mmtm -95.0 107.24 19.28 Favored 'General case' 0 N--CA 1.421 -1.902 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.246 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -95.52 155.94 16.53 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.0 131.97 34.4 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.5 m . . . . . 0 C--N 1.283 -2.284 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.704 177.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 11.1 mptt . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 121.282 0.563 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 48.3 mt -103.63 132.4 49.91 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.4 m -104.02 128.6 51.61 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.02 118.66 19.02 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.08 125.94 29.32 Favored Pre-proline 0 C--N 1.31 -1.139 0 C-N-CA 124.328 1.051 . . . . 0.0 109.449 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.38 125.43 15.05 Favored 'Trans proline' 0 C--O 1.245 0.849 0 C-N-CA 122.124 1.882 . . . . 0.0 111.499 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -81.14 108.1 14.5 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.67 -13.39 71.56 Favored Glycine 0 C--O 1.239 0.431 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.967 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.9 p -81.92 -14.17 56.5 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.001 0.429 . . . . 0.0 111.32 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -93.68 140.3 29.8 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -135.03 141.0 46.07 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.24 -157.93 25.25 Favored Glycine 0 N--CA 1.428 -1.87 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.208 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -83.54 123.71 30.02 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 123.367 0.667 . . . . 0.0 110.226 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.18 102.13 12.37 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.55 16.07 19.45 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -146.47 104.79 3.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -77.25 -22.24 52.46 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.5 p -71.91 -41.14 68.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.127 0.489 . . . . 0.0 110.057 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -71.35 -35.98 71.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.3 t -56.69 -55.96 27.44 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.786 0.678 . . . . 0.0 110.05 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 8.5 p -60.33 -46.74 88.84 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.21 -43.55 97.81 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.497 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 27.0 tt0 -64.61 -45.9 84.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 t -53.83 -53.14 56.63 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.282 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -63.66 -34.43 77.83 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.144 0.578 . . . . 0.0 111.625 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.39 -35.44 63.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.108 0.48 . . . . 0.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 4.8 mmp_? -69.25 -54.14 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.111 176.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -139.73 150.43 44.81 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 75.9 10.11 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -92.46 108.23 19.81 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.193 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.58 70.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 123.45 0.7 . . . . 0.0 111.539 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.58 1.98 56.52 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.088 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -135.93 41.47 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 116.238 -0.437 . . . . 0.0 113.215 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -168.26 167.18 40.04 Favored Glycine 0 N--CA 1.422 -2.235 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.29 168.12 23.38 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.78 135.85 38.98 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.606 0.241 . . . . 0.0 110.526 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.613 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 19.4 t60 -144.39 140.5 29.07 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 3.4 t80 -89.21 114.97 26.35 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -114.38 -88.76 0.56 Allowed 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.982 173.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -159.0 130.22 3.85 Favored Pre-proline 0 C--N 1.278 -2.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.995 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -96.28 1.01 40.16 Favored 'Cis proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.977 -1.26 . . . . 0.0 111.609 -3.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -134.56 179.9 6.0 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 -173.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 39.5 t -75.15 117.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.42 167.65 11.73 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -81.43 124.66 29.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 29.6 m-85 -122.77 117.58 26.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.995 0.426 . . . . 0.0 111.433 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.34 143.5 33.51 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.41 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 92.7 mttt -99.75 100.93 11.95 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 16.4 ptm180 -84.09 143.65 29.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.174 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -83.15 95.41 8.09 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.115 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.1 m . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.272 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 mt -110.78 142.12 43.18 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.676 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 m -107.51 133.29 52.2 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -83.57 110.62 18.39 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.222 0.535 . . . . 0.0 110.644 -177.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.11 125.33 44.16 Favored Pre-proline 0 C--N 1.295 -1.761 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.8 112.58 1.53 Allowed 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.882 1.722 . . . . 0.0 109.927 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.9 m -67.52 108.84 2.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.286 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.96 -16.87 75.03 Favored Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 p -68.36 -40.42 81.49 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 114.463 -0.868 . . . . 0.0 110.004 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -98.7 99.43 10.54 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.597 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -107.57 109.34 20.96 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.87 -167.84 24.97 Favored Glycine 0 N--CA 1.427 -1.911 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -74.51 130.37 39.47 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 123.911 0.418 . . . . 0.0 110.244 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.67 97.15 8.78 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.0 -33.64 2.75 Favored Glycine 0 C--N 1.294 -1.782 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 m -85.66 93.77 8.92 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 114.937 -0.631 . . . . 0.0 109.926 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -65.85 -48.4 71.73 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.339 -0.846 . . . . 0.0 113.022 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -66.31 -35.81 81.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 120.958 0.409 . . . . 0.0 110.159 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -64.86 -44.0 91.16 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.638 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.38 -48.45 74.28 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.356 0.662 . . . . 0.0 110.473 174.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.402 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.9 m -59.21 -52.88 63.76 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.92 -43.91 74.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -61.57 -45.05 95.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.1 -46.18 91.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.266 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -71.46 -22.87 61.76 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.041 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.04 -44.06 10.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.983 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -75.32 -47.39 27.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.047 0.451 . . . . 0.0 110.611 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -107.17 179.89 4.13 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -120.82 87.39 2.74 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.366 -1.734 . . . . 0.0 111.625 177.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.43 118.04 28.39 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.59 74.33 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.2 0.524 . . . . 0.0 111.836 -173.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -90.54 5.37 48.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.777 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 57.97 -126.96 43.86 Favored Glycine 0 N--CA 1.429 -1.824 0 CA-C-N 114.629 -1.169 . . . . 0.0 112.228 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -153.55 170.52 32.34 Favored Glycine 0 N--CA 1.407 -3.284 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.03 163.32 38.45 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.23 135.03 36.66 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.665 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.7 t60 -142.64 141.53 31.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -177.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -91.95 128.9 37.96 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.306 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -139.68 145.81 38.86 Favored 'General case' 0 C--N 1.279 -2.457 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 83.4 t80 -52.24 127.79 39.11 Favored Pre-proline 0 C--N 1.31 -1.137 0 CA-C-N 118.001 0.364 . . . . 0.0 110.589 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 56.2 Cg_endo -115.56 33.64 0.9 Allowed 'Cis proline' 0 CA--C 1.553 1.431 0 CA-C-N 118.912 0.647 . . . . 0.0 112.88 -2.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -150.12 153.22 36.01 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.157 -0.964 . . . . 0.0 112.612 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.8 106.5 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -114.91 167.47 10.76 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -84.52 130.57 34.73 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 51.6 m-85 -125.2 115.48 20.48 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.58 133.44 45.75 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.679 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -98.44 105.56 17.72 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.255 0.55 . . . . 0.0 111.29 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -89.36 149.7 22.89 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.468 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -80.92 113.8 19.37 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.367 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 mt -118.27 150.04 40.13 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.111 -176.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.2 m -116.84 145.3 43.64 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -89.53 130.2 35.89 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.1 132.51 24.39 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.01 125.02 13.45 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 121.741 1.628 . . . . 0.0 111.056 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 t -84.17 114.28 21.68 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -19.27 78.6 Favored Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.769 -175.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -96.77 20.01 11.62 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.501 ' CZ3' ' HA ' ' A' ' 23' ' ' CYS . 61.7 t-105 -95.14 139.76 31.02 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -90.64 99.96 12.9 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.442 0.639 . . . . 0.0 111.937 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.85 -125.18 27.55 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -75.41 137.49 41.05 Favored 'General case' 0 C--N 1.313 -0.978 0 C-N-CA 124.158 0.983 . . . . 0.0 111.843 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 34.9 t -100.25 109.87 22.11 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.65 5.65 26.16 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.484 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -154.0 109.58 3.2 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -62.37 -29.39 70.44 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 m -74.8 -30.44 61.42 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.549 0.214 . . . . 0.0 110.86 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -70.31 -38.13 74.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 32.3 t -57.55 -54.0 51.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.11 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.2 p -60.15 -48.22 82.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.35 -50.73 72.02 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.542 0.527 . . . . 0.0 110.172 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.55 -42.96 81.81 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.127 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 43.7 t -55.13 -46.34 75.62 Favored 'General case' 0 C--O 1.277 2.518 0 C-N-CA 122.705 0.402 . . . . 0.0 111.121 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HB3' ' HZ1' ' A' ' 28' ' ' LYS . 7.2 mtpm? -64.15 -45.96 86.18 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.284 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.11 -35.42 78.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.545 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -69.9 -80.78 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.5 20.15 0.02 OUTLIER 'General case' 0 C--O 1.247 0.933 0 C-N-CA 118.106 -1.438 . . . . 0.0 114.146 -166.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.671 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 89.3 m-70 -117.05 -97.82 0.46 Allowed 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.5 m-85 -141.91 156.38 45.5 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -167.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.36 -14.23 62.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 123.197 0.599 . . . . 0.0 111.188 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -75.72 -18.07 59.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.0 -132.55 17.23 Favored Glycine 0 N--CA 1.428 -1.867 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.081 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 51' ' ' LYS . . . -168.12 -179.4 40.59 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.09 160.88 39.15 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -83.39 113.78 20.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 120.683 0.278 . . . . 0.0 110.504 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.659 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 63.1 t60 -119.72 138.87 53.04 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 114.54 12.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.289 0.566 . . . . 0.0 110.415 -175.097 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -109.32 152.78 24.82 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 68.2 t80 -88.29 130.51 45.62 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 79.8 Cg_endo -93.58 -6.92 35.96 Favored 'Cis proline' 0 CA--C 1.549 1.236 0 C-N-CA 123.84 -1.317 . . . . 0.0 115.018 2.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.2 p -129.87 143.35 50.76 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 45.5 t -52.75 126.23 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.358 1.063 . . . . 0.0 110.397 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.44 159.77 23.62 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.77 115.49 18.49 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 24.5 m-85 -106.76 110.48 22.67 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.3 m -74.71 149.14 39.96 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.253 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 32.3 mtpt -108.93 109.46 20.55 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.126 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ptm180 -87.75 153.22 21.52 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -78.9 125.93 30.02 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--N 1.292 -1.9 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm . . . . . 0 N--CA 1.427 -1.598 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.8 mt -112.27 160.21 17.87 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 m -126.04 142.94 51.3 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.83 122.19 28.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.066 0.46 . . . . 0.0 110.93 -177.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 50' ' ' CYS . 58.6 t -110.8 110.89 57.0 Favored Pre-proline 0 C--N 1.295 -1.789 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.13 118.75 5.65 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.059 1.839 . . . . 0.0 111.468 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -69.21 111.46 5.16 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.674 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.42 72.4 Favored Glycine 0 C--N 1.322 -0.21 0 O-C-N 123.25 0.344 . . . . 0.0 113.004 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -75.83 -21.07 57.64 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.435 ' HB2' HE22 ' A' ' 26' ' ' GLN . 2.1 t-105 -105.7 112.19 25.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -123.19 152.73 40.93 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.97 -109.18 2.99 Favored Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.825 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -131.31 130.26 42.53 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.36 99.23 11.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.11 38.47 2.75 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.573 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -153.05 96.71 2.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -61.12 -45.58 94.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.167 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 t -67.24 -40.03 86.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.025 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.61 -28.36 62.72 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.099 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.3 t -66.92 -44.44 80.69 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.2 m -61.38 -47.84 83.97 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.479 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.77 -50.35 68.68 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 123.954 0.902 . . . . 0.0 111.042 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.435 HE22 ' HB2' ' A' ' 13' ' ' TRP . 6.5 tt0 -57.19 -46.23 83.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.104 0.478 . . . . 0.0 110.741 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -65.93 -37.45 86.09 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.241 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -76.18 -21.72 56.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.532 . . . . 0.0 110.507 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.11 -54.16 5.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.218 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -75.3 -50.86 14.73 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.588 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -106.22 -170.63 1.76 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -128.74 87.55 2.59 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -128.61 115.61 18.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.64 -13.88 62.53 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.387 0.613 . . . . 0.0 111.133 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.25 -9.2 55.69 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.4 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.25 -127.4 14.45 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.121 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.73 158.73 28.02 Favored Glycine 0 N--CA 1.423 -2.233 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 -177.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.2 155.25 47.94 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 117.666 0.733 . . . . 0.0 110.668 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.8 m -73.02 113.14 9.71 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -128.62 128.15 43.63 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.351 -172.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 t80 -86.14 84.97 7.36 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -99.9 -70.1 0.74 Allowed 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.687 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -163.76 133.61 3.15 Favored Pre-proline 0 C--N 1.257 -3.446 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.371 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -96.74 1.11 38.01 Favored 'Cis proline' 0 C--O 1.244 0.79 0 C-N-CA 124.778 -0.926 . . . . 0.0 110.617 -6.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -145.91 -179.99 7.08 Favored 'General case' 0 C--O 1.253 1.245 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.9 p -83.36 103.92 11.25 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.832 1.301 . . . . 0.0 110.086 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -118.65 171.05 8.46 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 113.417 -1.72 . . . . 0.0 107.362 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.85 124.99 29.55 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.6 115.47 20.87 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.89 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.409 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 57.1 m -73.25 146.85 45.13 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.173 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -103.26 109.23 20.76 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.284 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -92.78 150.66 20.49 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -78.21 120.84 23.58 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.5 m . . . . . 0 C--N 1.298 -1.659 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.586 177.658 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm . . . . . 0 CA--C 1.495 -1.137 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 42.3 mt -121.43 139.19 53.79 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 62.7 m -100.33 122.93 43.89 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 5.3 m-20 -81.3 99.81 8.85 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -95.34 121.71 61.27 Favored Pre-proline 0 C--N 1.301 -1.532 0 C-N-CA 123.046 0.538 . . . . 0.0 110.495 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -64.24 119.78 6.92 Favored 'Trans proline' 0 C--O 1.25 1.101 0 C-N-CA 122.387 2.058 . . . . 0.0 111.51 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 t -64.19 122.89 17.71 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.885 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.35 -35.54 29.41 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -72.86 -39.24 66.63 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.629 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -73.58 114.51 11.9 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.89 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -131.58 148.83 52.65 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.742 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . 105.3 -109.4 3.24 Favored Glycine 0 N--CA 1.435 -1.397 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.556 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -131.34 155.9 46.44 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.95 108.11 7.24 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.93 -28.14 8.97 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -118.8 98.86 6.42 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -62.29 -27.15 68.83 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -72.34 -14.85 61.84 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.454 -0.779 . . . . 0.0 111.384 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -76.55 -42.5 42.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.6 p -74.91 -30.51 61.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.2 t -60.31 -46.43 89.89 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -62.35 -46.03 90.49 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.08 -55.16 19.01 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.221 0.951 . . . . 0.0 110.577 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 90.4 m -66.25 -42.81 88.04 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -67.65 -24.27 65.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.202 0.456 . . . . 0.0 111.865 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -89.4 -58.99 2.33 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.517 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -74.19 -39.86 62.88 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.679 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.58 -172.69 2.09 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -103.22 27.24 7.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 98.2 m-85 -90.47 76.87 6.59 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.24 65.15 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.296 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 91.8 m-85 -85.99 -2.41 58.27 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.467 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 -157.7 37.23 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.184 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.25 169.25 34.81 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.21 150.82 43.19 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.9 m -102.43 137.56 40.51 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.013 0.435 . . . . 0.0 110.916 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.423 ' HD2' ' O ' ' A' ' 41' ' ' TYR . 7.1 t60 -145.47 143.08 29.8 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' O ' ' HD2' ' A' ' 40' ' ' HIS . 90.6 t80 -75.05 131.52 40.64 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.777 0.798 . . . . 0.0 111.068 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -137.56 148.65 46.08 Favored 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -63.21 132.25 95.04 Favored Pre-proline 0 C--N 1.286 -2.173 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.443 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -105.86 12.85 9.25 Favored 'Cis proline' 0 CA--C 1.55 1.322 0 C-N-CA 124.751 -0.937 . . . . 0.0 114.498 -0.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 23.5 p -145.76 159.21 43.51 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.988 -0.445 . . . . 0.0 112.081 -173.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.0 t -73.84 113.07 11.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -104.69 143.38 33.17 Favored 'General case' 0 N--CA 1.419 -1.987 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -96.62 129.92 43.93 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.505 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 59.9 m-85 -111.06 107.81 17.32 Favored 'General case' 0 N--CA 1.411 -2.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.7 m -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.869 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 52.9 mtmt -92.45 121.83 34.3 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -107.92 149.74 27.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 170.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HB2' ' CE1' ' A' ' 35' ' ' TYR . 7.2 tt0 -75.39 126.91 31.97 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.288 -2.084 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.872 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 3.4 mptp? . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.427 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 74.8 mt -106.63 130.4 54.39 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.784 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.84 141.08 30.47 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.052 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 51.0 m-20 -94.21 113.23 25.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.697 0.761 . . . . 0.0 111.025 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.2 t -102.38 115.65 64.16 Favored Pre-proline 0 C--N 1.297 -1.708 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.27 126.29 21.58 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.813 2.342 . . . . 0.0 111.794 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 m -76.55 123.05 25.49 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.61 -20.29 24.95 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -80.04 -8.95 59.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-O 121.723 0.773 . . . . 0.0 109.2 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -110.4 128.42 55.57 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -119.94 127.51 52.73 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.417 0.627 . . . . 0.0 111.983 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.88 -147.37 18.65 Favored Glycine 0 N--CA 1.425 -2.047 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.096 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -83.85 136.5 34.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.307 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.0 t -102.06 117.09 34.08 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.016 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.67 1.69 42.21 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.883 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 t -150.36 113.18 4.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 120.848 0.356 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -66.66 -27.28 67.54 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.075 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 t -76.06 -39.35 55.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.827 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.86 -48.7 80.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.49 -31.3 69.48 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.521 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -60.3 -49.73 76.44 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.16 -36.3 77.24 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.275 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.03 -53.19 60.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.692 0.282 . . . . 0.0 110.265 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.4 t -70.06 -36.65 75.14 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.59 -37.52 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.931 0.396 . . . . 0.0 111.018 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.87 -39.54 26.25 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -79.8 -43.64 22.09 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 120.683 0.277 . . . . 0.0 111.598 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.84 -165.4 1.07 Allowed 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.815 0.446 . . . . 0.0 110.459 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -102.33 21.32 15.26 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -87.99 102.11 14.42 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.689 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.47 72.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.161 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.03 7.72 45.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.476 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.62 -123.58 33.25 Favored Glycine 0 N--CA 1.433 -1.529 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.442 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.02 166.48 34.06 Favored Glycine 0 N--CA 1.414 -2.789 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.29 160.91 38.72 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.6 m -109.12 135.77 49.71 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.473 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -136.15 156.44 48.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -173.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -74.9 136.9 41.43 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 122.059 0.933 . . . . 0.0 112.461 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -150.0 141.11 23.03 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 75.9 t80 -64.4 136.22 96.67 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 59.4 Cg_endo -94.85 -16.15 12.01 Favored 'Cis proline' 0 CA--C 1.549 1.249 0 C-N-CA 123.758 -1.351 . . . . 0.0 114.819 0.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -128.87 149.23 50.85 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.849 -0.532 . . . . 0.0 111.459 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.84 117.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 123.2 0.6 . . . . 0.0 109.857 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.86 163.6 14.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.372 -174.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.9 t -92.81 141.85 27.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 120.972 0.415 . . . . 0.0 110.341 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 82.8 m-85 -132.12 119.2 20.62 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -109.53 107.1 17.09 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.962 -172.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 31.1 ptt85 -97.32 158.05 15.66 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.8 117.54 20.01 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.485 0.714 . . . . 0.0 110.775 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.293 -1.886 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.279 175.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.439 -1.008 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 47.4 mt -109.4 135.54 50.27 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 121.569 0.699 . . . . 0.0 109.608 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.5 m -106.07 132.23 52.4 Favored 'General case' 0 C--N 1.277 -2.563 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -76.81 109.03 10.26 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG11 ' O ' ' A' ' 50' ' ' CYS . 9.4 p -102.96 123.35 42.4 Favored Pre-proline 0 C--N 1.307 -1.262 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.53 117.61 3.84 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.933 2.422 . . . . 0.0 111.386 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -73.63 105.92 5.16 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.54 -23.65 77.56 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -67.91 -27.99 67.12 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 115.147 -0.526 . . . . 0.0 111.342 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -88.64 140.82 29.07 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 m -126.93 114.18 17.5 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.62 -154.7 17.91 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.453 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 54.1 t60 -77.03 133.39 39.12 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.297 0.639 . . . . 0.0 111.2 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 35.1 t -87.5 96.63 10.46 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.5 -35.67 3.26 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -94.39 98.05 10.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.105 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -62.51 -35.48 79.52 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 123.107 0.563 . . . . 0.0 111.14 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -69.19 -36.62 77.51 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -72.43 -36.22 68.52 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.287 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.5 t -51.78 -56.78 11.86 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.118 0.886 . . . . 0.0 110.388 176.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 p -66.6 -54.07 27.47 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.916 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -56.93 -44.41 82.44 Favored 'General case' 0 C--O 1.189 -2.097 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.735 -175.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.3 -52.16 64.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 32' ' ' HIS . 26.7 p -74.27 -32.08 62.78 Favored 'General case' 0 C--O 1.261 1.697 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.318 -175.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.5 -43.29 81.24 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.387 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.38 -39.61 94.99 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 123.324 0.65 . . . . 0.0 109.658 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.576 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 15.6 tpp180 -61.29 -82.07 0.02 OUTLIER 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.075 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 28.7 mt-10 179.05 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.865 1.666 . . . . 0.0 108.999 -177.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 27' ' ' CYS . 61.8 m80 -140.32 -96.29 0.15 Allowed 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.72 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -146.32 145.8 30.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -174.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -20.22 66.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.588 0.555 . . . . 0.0 111.582 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -67.98 -23.63 65.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.786 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.85 5.3 Favored Glycine 0 N--CA 1.423 -2.215 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.19 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.14 -176.78 44.63 Favored Glycine 0 N--CA 1.417 -2.578 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.631 -176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.4 163.11 39.69 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.44 127.85 34.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.633 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 74.7 t60 -141.7 144.44 34.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.6 t80 -86.92 125.72 34.22 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.673 -0.642 . . . . 0.0 111.69 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -133.3 -84.81 0.45 Allowed 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.024 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -158.77 136.15 7.05 Favored Pre-proline 0 C--N 1.274 -2.693 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.153 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -89.17 -10.51 39.33 Favored 'Cis proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.702 -1.374 . . . . 0.0 110.556 -4.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 m -131.53 -178.49 4.88 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.646 -174.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 58.2 t -55.84 122.85 5.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 171.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -116.32 159.75 21.47 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -173.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -84.09 132.61 34.69 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.633 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.9 m-85 -125.56 117.32 23.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.453 ' O ' HG11 ' A' ' 8' ' ' VAL . 32.8 m -78.92 144.08 35.2 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.1 mttt -95.59 107.54 19.73 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.315 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -88.15 141.18 28.77 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.018 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.46 115.8 13.27 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.794 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 C--N 1.295 -1.782 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.226 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.5 mptt . . . . . 0 N--CA 1.44 -0.947 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.4 mt -114.01 162.16 16.79 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.387 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.2 117.4 24.52 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.33 103.4 4.71 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.041 0.448 . . . . 0.0 110.302 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -103.59 118.59 57.15 Favored Pre-proline 0 C--N 1.311 -1.096 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.63 130.4 23.39 Favored 'Trans proline' 0 C--O 1.246 0.89 0 C-N-CA 122.477 2.118 . . . . 0.0 111.834 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m -98.85 132.97 43.79 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-O 121.141 0.496 . . . . 0.0 111.73 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.66 -7.65 74.86 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 p -76.46 -24.8 53.87 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.899 0.88 . . . . 0.0 110.44 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.407 ' CZ3' ' HA ' ' A' ' 23' ' ' CYS . 46.7 t-105 -91.46 135.41 33.86 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -101.09 112.83 25.4 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.87 -126.79 7.69 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -84.18 145.04 28.58 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 124.249 1.019 . . . . 0.0 112.172 -170.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 49.8 t -112.2 107.52 16.44 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.41 -32.94 2.61 Favored Glycine 0 C--N 1.302 -1.356 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -99.29 104.37 16.28 Favored 'General case' 0 N--CA 1.416 -2.164 0 CA-C-O 121.568 0.699 . . . . 0.0 110.559 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 m -70.31 -33.65 71.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.334 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -69.67 -40.18 76.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.64 -40.44 84.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.422 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.4 t -52.63 -56.37 15.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.178 0.924 . . . . 0.0 110.073 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 4.3 p -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.64 -46.39 89.14 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.44 -45.45 76.02 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.179 0.445 . . . . 0.0 111.061 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.7 t -67.4 -44.27 79.26 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-O 121.843 0.83 . . . . 0.0 110.529 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -75.39 -21.59 58.14 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.56 -36.06 45.09 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' ' HG2' ' A' ' 31' ' ' GLU . 21.3 tpp180 -65.6 -70.81 0.22 Allowed 'General case' 0 N--CA 1.411 -2.414 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.916 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 10.6 pt-20 -178.42 12.28 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.276 51.6 m-70 -89.84 -94.08 0.12 Allowed 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -166.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -143.18 163.43 32.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.523 0.602 . . . . 0.0 110.683 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.26 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.316 0.579 . . . . 0.0 110.477 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.31 20.08 12.13 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 24' ' ' SER . . . -71.24 69.64 0.85 Allowed Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 24' ' ' SER . . . 153.06 121.5 0.86 Allowed Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.312 -0.947 . . . . 0.0 114.205 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.37 144.16 22.73 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.3 m -76.1 120.65 21.7 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.604 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.7 t-160 -129.64 131.69 46.51 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 86.6 t80 -66.53 132.04 47.35 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.829 0.823 . . . . 0.0 111.677 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -132.97 157.27 45.59 Favored 'General case' 0 C--N 1.278 -2.515 0 N-CA-C 104.671 -2.344 . . . . 0.0 104.671 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -82.82 131.69 53.69 Favored Pre-proline 0 C--N 1.282 -2.342 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 176.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -100.16 2.28 23.46 Favored 'Cis proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.357 -1.101 . . . . 0.0 113.463 -1.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -129.13 149.28 51.01 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -174.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 57.5 t -67.27 122.55 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -123.58 166.99 14.51 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.44 110.97 18.61 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 123.628 0.771 . . . . 0.0 110.089 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 6.6 m-85 -107.36 123.84 48.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.81 112.37 24.1 Favored 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.429 -177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -73.24 119.46 17.51 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.378 -176.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -95.11 155.12 16.86 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -82.12 130.81 35.19 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.294 -1.815 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.61 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 61.3 mt -97.14 145.96 25.51 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.332 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -117.16 139.53 50.64 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.097 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -83.9 110.38 18.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.599 0.562 . . . . 0.0 111.013 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.25 121.87 39.24 Favored Pre-proline 0 C--N 1.301 -1.51 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 122.25 11.15 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.388 2.058 . . . . 0.0 111.436 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -67.38 104.0 1.42 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.475 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.16 -23.23 78.02 Favored Glycine 0 CA--C 1.504 -0.623 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -94.55 14.85 19.57 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.221 0.534 . . . . 0.0 110.979 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.485 ' CE3' ' HA ' ' A' ' 23' ' ' CYS . 73.8 t-105 -111.37 133.61 53.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -91.83 102.19 14.79 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.153 0.501 . . . . 0.0 112.18 -175.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.98 -123.68 18.78 Favored Glycine 0 C--O 1.245 0.806 0 N-CA-C 116.294 1.278 . . . . 0.0 116.294 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.52 131.85 46.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.726 0.81 . . . . 0.0 112.428 -173.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.68 98.07 11.19 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.57 -43.03 2.79 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 119.9 -1.143 . . . . 0.0 110.304 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -103.45 109.43 21.07 Favored 'General case' 0 N--CA 1.423 -1.808 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -62.18 -37.06 83.84 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.161 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 t -68.75 -40.4 79.8 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.15 0.5 . . . . 0.0 110.542 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.76 -38.11 67.46 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.781 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.7 p -65.92 -43.63 87.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.741 -0.784 . . . . 0.0 110.068 -177.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -65.19 -51.08 63.26 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.159 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -59.73 -43.52 94.16 Favored 'General case' 0 C--O 1.212 -0.901 0 O-C-N 123.558 0.536 . . . . 0.0 111.12 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -66.84 -46.18 75.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.005 0.431 . . . . 0.0 110.835 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.0 t -56.52 -51.11 69.76 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 124.296 1.038 . . . . 0.0 109.846 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -60.97 -54.93 38.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 126.433 1.893 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.73 -37.27 75.8 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 123.896 0.879 . . . . 0.0 111.721 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -75.91 -73.72 0.25 Allowed 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -157.4 29.25 0.29 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 118.971 0.805 . . . . 0.0 113.039 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.297 79.1 m80 -118.66 -109.68 0.35 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -137.28 150.65 47.95 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.165 -170.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -3.06 28.24 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 112.151 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.1 -10.25 50.67 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.455 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -138.47 33.47 Favored Glycine 0 N--CA 1.434 -1.457 0 C-N-CA 120.487 -0.864 . . . . 0.0 111.555 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.84 -172.88 38.23 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.62 168.15 24.38 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.6 m -83.12 129.22 35.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.1 t60 -134.4 144.29 48.1 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -80.12 134.82 36.2 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.536 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -145.67 161.36 40.05 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.22 135.56 79.5 Favored Pre-proline 0 C--N 1.286 -2.165 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -108.2 22.35 6.49 Favored 'Cis proline' 0 CA--C 1.55 1.303 0 CA-C-N 119.633 0.905 . . . . 0.0 113.251 -0.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -159.25 157.23 30.24 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.65 118.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -123.42 165.56 16.84 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.8 t -91.56 139.62 30.52 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.704 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 31.0 m-85 -125.21 120.23 30.71 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.354 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -90.71 143.83 26.34 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.196 0.522 . . . . 0.0 111.375 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 54.6 mtmt -93.79 117.27 29.87 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.428 -172.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 5.0 ptm180 -104.82 151.29 23.98 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -77.51 117.58 19.1 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 123.593 0.558 . . . . 0.0 110.341 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.684 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 CA--C 1.507 -0.7 0 CA-C-O 120.985 0.421 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.45 76.86 0.22 Allowed Glycine 0 N--CA 1.426 -1.99 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -67.17 136.28 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -86.43 109.15 18.85 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 120.886 0.374 . . . . 0.0 110.157 -173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.64 140.35 43.58 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -110.19 124.57 51.82 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.426 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.07 107.07 12.57 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.03 138.67 19.73 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.604 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.18 142.17 59.94 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.444 2.096 . . . . 0.0 112.352 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -90.64 144.35 25.84 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.89 -19.61 19.09 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 p -75.53 -54.56 6.81 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 123.689 0.795 . . . . 0.0 110.765 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -79.51 135.85 36.74 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -146.36 157.95 43.84 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.56 -105.81 3.01 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.828 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -135.51 143.75 45.95 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 37.0 t -109.29 104.58 13.73 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.24 -20.53 12.19 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.078 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 p -127.06 115.15 18.75 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.33 0.586 . . . . 0.0 110.941 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 p -73.15 -23.1 60.41 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.0 p -68.89 -40.64 79.1 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.139 0.495 . . . . 0.0 110.259 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.05 -34.18 50.58 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 22.2 t -56.95 -51.15 70.32 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 123.486 0.492 . . . . 0.0 109.774 173.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -64.21 -41.28 97.11 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -59.84 -44.41 94.11 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.93 -48.37 78.43 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.496 0.498 . . . . 0.0 110.731 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.7 m -63.42 -40.5 97.35 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.92 -32.0 65.01 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.301 0.572 . . . . 0.0 110.78 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.93 -47.67 18.09 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.267 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -73.37 -46.55 48.4 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.161 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.7 -167.35 1.85 Allowed 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.27 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -91.05 26.51 2.12 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.274 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -88.32 78.57 7.96 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.99 63.64 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.465 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 53' ' ' GLN . 88.5 m-85 -85.6 -1.71 57.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.056 0.455 . . . . 0.0 110.779 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.5 -131.32 10.29 Favored Glycine 0 N--CA 1.424 -2.154 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.421 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.6 173.13 45.52 Favored Glycine 0 N--CA 1.419 -2.439 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.09 163.3 33.97 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 75.2 m -87.3 114.17 23.67 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.626 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 44.8 t60 -119.51 139.89 51.36 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 44.2 t80 -80.71 128.94 34.21 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 121.501 0.667 . . . . 0.0 110.399 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -138.49 166.41 24.36 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -78.01 133.29 65.53 Favored Pre-proline 0 C--N 1.292 -1.924 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -101.41 3.9 19.33 Favored 'Cis proline' 0 CA--C 1.554 1.482 0 N-CA-C 114.681 0.993 . . . . 0.0 114.681 0.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.5 m -145.59 167.78 22.24 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.443 -0.786 . . . . 0.0 112.266 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.2 t -66.86 119.37 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -119.79 161.83 20.12 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.19 126.21 31.81 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 18.7 m-85 -120.71 124.09 44.31 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.7 m -83.41 141.62 31.59 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.336 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.22 109.08 21.91 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.086 0.469 . . . . 0.0 110.833 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -99.35 160.36 14.33 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' HB2' ' CE2' ' A' ' 35' ' ' TYR . 40.2 tt0 -89.62 137.61 32.19 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.276 -2.598 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.542 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--O 1.238 0.471 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.63 -133.3 11.82 Favored Glycine 0 CA--C 1.491 -1.461 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -85.59 133.56 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.8 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -94.48 140.33 29.98 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 mt -118.31 141.32 48.64 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.93 120.83 41.84 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -91.35 106.21 18.33 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -101.27 135.0 19.98 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.2 120.24 7.62 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.254 1.97 . . . . 0.0 112.048 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -78.96 116.28 19.18 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.91 73.54 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.291 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -8.59 56.76 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.45 ' HB2' ' OE1' ' A' ' 26' ' ' GLN . 25.0 t-105 -100.75 124.65 46.68 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 t -125.09 141.21 52.26 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.57 -164.45 29.19 Favored Glycine 0 N--CA 1.433 -1.507 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -72.3 146.22 47.33 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 123.276 0.63 . . . . 0.0 110.37 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 t -109.74 100.11 9.17 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.34 -46.72 1.39 Allowed Glycine 0 N--CA 1.439 -1.146 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -83.01 102.59 11.85 Favored 'General case' 0 N--CA 1.424 -1.756 0 CA-C-O 121.112 0.482 . . . . 0.0 110.092 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -65.32 -30.61 71.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.106 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 m -73.34 -27.07 61.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.808 0.337 . . . . 0.0 111.352 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -74.98 -34.6 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.05 -48.04 75.21 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.985 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.422 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 12.7 p -64.12 -40.79 96.95 Favored 'General case' 0 N--CA 1.434 -1.245 0 O-C-N 122.23 -0.294 . . . . 0.0 111.16 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.05 -44.69 97.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' OE1' ' HB2' ' A' ' 13' ' ' TRP . 36.1 tt0 -59.18 -52.42 65.79 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.619 0.574 . . . . 0.0 110.604 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -66.14 -32.28 73.63 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -71.12 -31.61 67.97 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.684 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -81.05 -48.4 12.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.672 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -72.74 -46.98 50.71 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.399 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -103.05 -168.22 1.49 Allowed 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -177.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -114.7 24.17 12.04 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -93.74 116.3 28.78 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 121.172 0.51 . . . . 0.0 111.591 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.31 73.76 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.834 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -71.35 -13.25 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.229 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.77 9.85 Favored Glycine 0 N--CA 1.436 -1.362 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.87 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -163.47 161.28 33.97 Favored Glycine 0 N--CA 1.422 -2.246 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.63 162.17 35.74 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.3 m -90.68 128.13 36.54 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.591 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -139.94 151.69 45.76 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -82.35 139.29 34.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.37 0.605 . . . . 0.0 110.803 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -151.96 164.7 36.6 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -67.65 130.37 93.13 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -111.48 23.4 3.04 Favored 'Cis proline' 0 CA--C 1.555 1.569 0 C-N-CA 125.079 -0.8 . . . . 0.0 113.746 -1.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 t -159.98 164.64 33.14 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -174.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.431 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 50.0 t -68.92 117.32 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -116.27 167.36 11.09 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.3 129.16 36.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -124.3 118.6 27.14 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.4 m -71.85 126.32 29.44 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 124.235 0.96 . . . . 0.0 108.988 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 26.6 mtpp -95.97 104.9 16.86 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -97.96 147.43 24.49 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -80.26 121.55 25.78 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 C--O 1.265 1.871 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.324 -179.327 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 120.744 0.307 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.12 105.61 0.2 Allowed Glycine 0 N--CA 1.416 -2.639 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.7 t -81.07 122.76 36.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -92.23 147.72 22.71 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 47.9 mt -118.08 133.81 55.56 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.34 140.13 38.92 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.445 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -78.95 122.98 26.83 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 123.749 0.656 . . . . 0.0 111.236 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -118.1 116.93 35.56 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -48.84 132.83 27.13 Favored 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.16 2.574 . . . . 0.0 112.179 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -80.1 106.96 12.51 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.82 50.46 3.62 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.355 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 p -152.33 -58.25 0.14 Allowed 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.493 1.117 . . . . 0.0 109.002 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -63.67 123.88 19.98 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.515 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 m -125.57 124.91 42.3 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.83 -154.18 16.76 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -83.22 139.95 32.82 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.088 0.555 . . . . 0.0 110.298 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 16.6 t -97.15 100.31 11.79 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.04 8.36 27.25 Favored Glycine 0 N--CA 1.438 -1.21 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.88 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -135.52 102.59 5.17 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -69.04 -31.81 70.87 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 m -70.29 -40.79 74.08 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.15 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -78.07 -32.9 50.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.409 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 31.1 t -57.72 -49.18 77.38 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.339 0.59 . . . . 0.0 110.005 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 13.5 p -68.22 -47.74 67.02 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.298 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -52.91 -52.28 58.25 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.289 0.635 . . . . 0.0 111.393 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -62.74 -40.18 96.4 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.378 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.207 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -67.73 -27.29 66.67 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.389 0.614 . . . . 0.0 110.185 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -83.64 -51.73 7.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.578 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -82.28 -44.9 15.69 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.047 0.451 . . . . 0.0 112.024 -174.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -99.36 -166.55 1.36 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -128.52 78.15 1.82 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.449 0.643 . . . . 0.0 109.705 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.26 114.64 14.01 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.628 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.63 81.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.274 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.89 -11.37 59.99 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.272 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.72 -110.21 3.08 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.968 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -172.84 179.57 44.22 Favored Glycine 0 N--CA 1.417 -2.58 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -176.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.9 164.86 37.7 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.7 m -92.41 121.76 34.2 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -138.67 148.81 44.46 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.515 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -79.79 133.75 36.32 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.271 0.557 . . . . 0.0 111.071 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -137.86 -76.4 0.39 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.401 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -175.07 137.45 0.56 Allowed Pre-proline 0 C--N 1.272 -2.773 0 CA-C-N 114.035 -1.439 . . . . 0.0 107.313 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -93.94 8.95 53.66 Favored 'Cis proline' 0 CA--C 1.535 0.571 0 C-N-CA 124.072 -1.22 . . . . 0.0 111.057 -3.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -155.84 -179.3 8.0 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.515 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.7 t -61.88 121.33 9.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -119.5 164.18 16.18 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.12 121.07 31.08 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.94 128.51 50.37 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.97 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.9 m -75.71 143.03 42.31 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.39 112.26 24.9 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.239 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 13.4 ptm180 -98.96 148.56 23.86 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.302 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -76.3 119.56 20.35 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 123.867 0.729 . . . . 0.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 C--N 1.29 -2.011 0 CA-C-O 118.11 -0.948 . . . . 0.0 109.37 178.735 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.0 t70 . . . . . 0 C--O 1.24 0.568 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.25 -42.96 99.93 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 121.522 -0.371 . . . . 0.0 112.464 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.91 152.72 24.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -93.41 111.4 23.05 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 174.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 78.7 mt -103.77 134.79 46.49 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.664 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.4 131.54 50.4 Favored 'General case' 0 C--N 1.279 -2.464 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.92 103.13 9.6 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.57 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.66 117.16 67.48 Favored Pre-proline 0 C--N 1.304 -1.387 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.25 116.16 3.21 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.402 2.068 . . . . 0.0 111.295 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.431 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 40.3 t -70.13 119.25 14.05 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.76 -16.89 57.61 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.0 p -80.23 -27.76 38.69 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-O 121.386 0.613 . . . . 0.0 111.119 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -85.35 128.74 34.81 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -102.3 112.48 25.2 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.14 -141.05 21.23 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 114.687 0.635 . . . . 0.0 114.687 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 71.7 t60 -65.9 135.34 54.66 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.491 1.117 . . . . 0.0 112.297 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.39 103.0 14.87 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.13 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.85 24.03 20.23 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.002 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -157.41 106.8 2.16 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.663 0.268 . . . . 0.0 110.334 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 -39.68 95.04 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -67.79 -40.33 83.96 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.651 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -76.58 -31.25 57.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.981 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.4 t -62.05 -48.8 78.62 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.517 0.675 . . . . 0.0 109.545 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.41 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 9.7 p -67.42 -43.18 81.87 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.535 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.03 -42.82 95.23 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.123 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.19 -59.53 4.43 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.494 0.318 . . . . 0.0 111.723 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.4 m -73.07 -26.52 61.3 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -77.28 -31.0 54.57 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.246 0.546 . . . . 0.0 110.62 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -84.68 -41.4 16.32 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -76.85 -54.71 6.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.175 0.512 . . . . 0.0 111.339 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -107.13 -164.2 0.97 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -112.0 38.47 2.66 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.231 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 33.7 m-85 -78.34 102.75 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.1 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.957 0.408 . . . . 0.0 111.847 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -89.55 -9.34 50.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.037 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.11 -89.99 0.34 Allowed Glycine 0 N--CA 1.429 -1.819 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.58 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . 172.99 174.89 40.43 Favored Glycine 0 N--CA 1.417 -2.577 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.28 162.21 38.61 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -82.46 111.0 18.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.61 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.4 t-160 -113.98 144.8 42.49 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 64.6 t80 -73.62 137.3 44.12 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.501 0.667 . . . . 0.0 111.188 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.89 159.49 42.07 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -80.43 132.02 60.03 Favored Pre-proline 0 C--N 1.296 -1.758 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.862 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -105.12 15.04 10.52 Favored 'Cis proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.882 -0.882 . . . . 0.0 111.76 -4.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -138.77 148.16 43.51 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 122.125 -0.359 . . . . 0.0 111.094 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 16' ' ' HIS . 98.3 t -61.62 125.36 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.384 -0.825 . . . . 0.0 108.832 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 10' ' ' SER . 84.8 tttt -123.74 164.97 18.08 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.25 125.55 30.45 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 36.5 m-85 -121.96 116.15 23.82 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.7 m -81.19 116.2 20.97 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 68.2 mttm -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.438 -174.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -98.93 155.58 17.33 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.996 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.74 123.56 26.84 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.286 -2.182 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.957 176.225 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--O 1.24 0.557 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.66 -38.08 94.2 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.968 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -101.23 130.23 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-O 121.099 0.476 . . . . 0.0 110.445 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.3 mptt -109.0 144.91 36.38 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.6 mt -124.19 150.96 44.61 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 m -118.33 143.94 46.24 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -85.1 109.7 18.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 123.621 0.576 . . . . 0.0 111.091 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.41 117.05 59.17 Favored Pre-proline 0 C--N 1.294 -1.81 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.63 112.3 1.57 Allowed 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.114 1.876 . . . . 0.0 111.574 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -70.74 113.18 7.57 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.505 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.0 78.34 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.74 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -77.69 -11.0 59.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 121.175 0.512 . . . . 0.0 110.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -106.91 106.88 17.63 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.0 t -112.36 138.55 48.93 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.81 -167.25 14.45 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -80.07 142.15 35.17 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 122.44 0.296 . . . . 0.0 110.237 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 32.7 t -103.77 102.95 12.78 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.2 -1.57 20.41 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.015 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -127.6 104.13 7.71 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 122.392 -0.476 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 p -63.56 -35.25 79.88 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -66.16 -36.58 83.48 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.649 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -79.99 -33.38 39.45 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.394 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.445 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 26.1 t -57.57 -50.65 72.41 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -66.41 -44.82 81.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.868 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.53 -57.15 12.5 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 123.15 0.58 . . . . 0.0 111.822 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -61.73 -39.85 93.01 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.38 0.425 . . . . 0.0 111.163 -176.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.67 -40.81 88.75 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.022 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 56.7 mtmt -74.58 -23.69 58.79 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.417 0.627 . . . . 0.0 110.914 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.46 -46.72 30.83 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.365 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -84.52 -54.91 4.43 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.244 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.92 -179.74 4.03 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.261 0.553 . . . . 0.0 110.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -107.37 80.22 1.39 Allowed 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.606 0.717 . . . . 0.0 111.71 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 64.3 m-85 -116.26 106.14 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.588 176.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.23 69.09 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.348 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -97.75 -0.26 45.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.412 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.46 -118.74 11.29 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.947 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.98 174.03 44.11 Favored Glycine 0 N--CA 1.416 -2.655 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.83 161.21 43.03 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.41 128.92 34.71 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.63 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 34.0 t60 -137.08 148.27 46.63 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -74.5 133.9 42.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 122.272 1.034 . . . . 0.0 113.59 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -147.07 145.04 29.51 Favored 'General case' 0 N--CA 1.412 -2.358 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -69.1 139.36 90.19 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -98.12 -0.45 29.76 Favored 'Cis proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.177 -1.176 . . . . 0.0 113.886 0.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 p -144.38 140.01 28.79 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 119.574 -0.251 . . . . 0.0 110.731 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.2 t -47.34 124.24 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.341 1.026 . . . . 0.0 110.464 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -115.4 168.73 9.73 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -173.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -85.59 125.1 32.86 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.63 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 55.1 m-85 -119.13 109.72 16.22 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-O 121.122 0.487 . . . . 0.0 111.017 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -67.4 140.03 57.16 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.046 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -101.56 113.41 26.52 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm85 -100.18 147.38 25.77 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.553 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -72.47 123.77 23.8 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 C--N 1.283 -2.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 120.684 0.278 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.57 -31.96 12.38 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.56 144.16 27.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.65 110.34 21.67 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.438 0.637 . . . . 0.0 109.504 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.45 133.23 44.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.183 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.98 128.26 38.78 Favored 'General case' 0 C--N 1.262 -3.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.175 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -89.54 127.0 35.82 Favored 'General case' 0 CA--C 1.481 -1.691 0 O-C-N 124.282 0.989 . . . . 0.0 109.75 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -121.38 140.36 31.26 Favored Pre-proline 0 C--N 1.282 -2.368 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -59.5 123.17 12.79 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.013 1.809 . . . . 0.0 109.462 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -64.76 112.0 3.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 121.116 0.484 . . . . 0.0 110.453 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.04 -1.73 88.0 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.819 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -108.56 -18.58 13.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -89.23 141.21 28.73 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -115.63 106.29 13.74 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.958 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.28 -144.65 18.05 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 115.478 0.951 . . . . 0.0 115.478 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.12 137.15 56.84 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 124.953 1.301 . . . . 0.0 111.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 t -100.57 100.69 11.46 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.27 13.43 18.93 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -136.91 94.05 2.92 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 m -64.12 -50.13 69.48 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.926 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -65.59 -35.17 80.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.953 0.406 . . . . 0.0 110.44 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -66.11 -43.83 86.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.252 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.5 t -57.14 -45.01 83.93 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 123.707 0.629 . . . . 0.0 109.978 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.442 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 14.8 m -60.05 -54.63 43.7 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.797 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -68.06 -44.67 75.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.2 m -65.39 -40.24 93.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.675 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -70.67 -23.31 62.48 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.642 0.734 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.11 -50.44 16.36 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.418 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -67.37 -57.55 6.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 41.2 mt-10 -120.82 176.45 5.53 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -86.82 76.65 9.42 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.956 0.884 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 79.1 m-85 -99.28 105.38 17.38 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.403 174.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -26.2 66.42 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 123.572 0.545 . . . . 0.0 112.244 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.03 10.86 17.58 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.084 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.62 -101.75 0.49 Allowed Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.307 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -175.73 168.01 40.13 Favored Glycine 0 N--CA 1.422 -2.251 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.75 156.37 45.59 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 117.145 0.473 . . . . 0.0 109.906 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.6 m -76.8 119.93 21.26 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 30.8 t-80 -131.13 127.16 37.52 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.379 0.609 . . . . 0.0 110.747 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.8 t80 -85.91 115.7 23.69 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -130.98 -69.28 0.64 Allowed 'General case' 0 C--N 1.287 -2.11 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.183 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -165.1 130.98 2.08 Favored Pre-proline 0 C--N 1.267 -2.996 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.396 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -97.71 7.76 35.4 Favored 'Cis proline' 0 CA--C 1.534 0.518 0 C-N-CA 124.693 -0.961 . . . . 0.0 110.374 -5.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.8 m -150.95 -179.39 7.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.7 p -86.88 115.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.968 0.89 . . . . 0.0 110.855 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -122.05 165.04 16.66 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.116 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 t -78.24 125.14 28.93 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 64.1 m-85 -119.53 115.26 23.67 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.0 m -75.1 140.48 43.47 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -116.94 114.63 24.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -110.7 148.07 33.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.102 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.81 132.4 45.25 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.302 -1.49 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.358 174.41 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.702 0.287 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.02 -97.21 1.05 Allowed Glycine 0 N--CA 1.432 -1.603 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -121.09 138.15 52.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -69.12 115.03 7.94 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.854 0.359 . . . . 0.0 111.545 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.0 mt -125.9 143.24 51.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.0 m -110.79 129.97 55.7 Favored 'General case' 0 C--N 1.279 -2.484 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -88.66 107.41 18.92 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.6 m -102.35 134.83 19.76 Favored Pre-proline 0 C--N 1.306 -1.299 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.633 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.96 119.6 6.79 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.472 2.115 . . . . 0.0 112.067 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 m -79.01 113.41 17.11 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.903 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 -17.34 79.32 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 111.828 -0.509 . . . . 0.0 111.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -72.33 -22.62 61.15 Favored 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.025 0.93 . . . . 0.0 110.947 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -98.24 135.94 39.15 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -133.5 122.15 23.21 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -169.48 12.95 Favored Glycine 0 N--CA 1.421 -2.352 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.353 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -71.55 136.24 47.39 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 123.389 0.676 . . . . 0.0 110.775 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.8 t -90.23 99.88 12.81 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.17 -38.68 3.98 Favored Glycine 0 N--CA 1.427 -1.953 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.544 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.4 t -106.52 109.42 21.33 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 120.883 0.373 . . . . 0.0 110.059 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -64.62 -31.9 73.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.675 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 t -67.19 -40.7 86.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.486 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -72.38 -33.19 67.03 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.359 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.54 -47.43 85.58 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 123.318 0.386 . . . . 0.0 110.025 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 m -61.73 -48.9 78.63 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.848 0.356 . . . . 0.0 110.264 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.12 -43.58 91.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.405 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -58.32 -48.83 79.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.65 -44.23 96.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.617 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.66 -21.9 61.01 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.0 0.429 . . . . 0.0 111.6 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -85.7 -49.58 7.86 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.7 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 26' ' ' GLN . 10.1 mpt_? -78.02 -49.54 13.82 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -178.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.49 -165.64 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -128.54 90.09 3.0 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.27 108.89 7.45 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.6 67.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.501 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 96.9 m-85 -88.82 3.16 52.09 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -127.2 36.24 Favored Glycine 0 N--CA 1.437 -1.288 0 CA-C-N 115.681 -0.691 . . . . 0.0 113.151 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.78 163.55 37.12 Favored Glycine 0 N--CA 1.412 -2.957 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.21 162.1 36.51 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.95 115.29 16.61 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 18.1 t60 -120.86 132.09 54.79 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 59.2 t80 -66.06 132.65 49.02 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 121.643 0.735 . . . . 0.0 111.907 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -135.64 159.29 42.09 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -80.26 131.84 61.13 Favored Pre-proline 0 C--N 1.291 -1.968 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.509 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -104.04 15.91 13.07 Favored 'Cis proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.829 -0.904 . . . . 0.0 112.601 -2.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 p -143.68 142.61 31.07 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.639 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' C ' ' A' ' 40' ' ' HIS . 3.9 p -66.93 126.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.578 0.704 . . . . 0.0 110.975 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -124.05 165.89 16.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.333 -172.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.4 t -76.2 126.59 31.28 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 122.817 0.447 . . . . 0.0 110.038 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 10.4 m-85 -125.48 121.04 32.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.151 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.9 m -71.51 137.36 48.08 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 26.7 mtpp -96.7 103.43 15.35 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -93.99 149.38 21.28 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -82.32 122.1 27.53 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.9 m . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.72 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 CA--C 1.484 -1.57 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.56 -70.83 2.93 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 m -96.58 140.49 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 173.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -89.02 114.1 25.27 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.4 mt -103.42 136.12 43.77 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.55 130.62 46.64 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.416 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.61 105.06 11.57 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.07 122.84 41.75 Favored Pre-proline 0 C--N 1.304 -1.41 0 C-N-CA 123.437 0.695 . . . . 0.0 109.81 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.74 114.08 1.84 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.486 2.124 . . . . 0.0 111.194 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -61.27 133.2 55.64 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 123.704 0.802 . . . . 0.0 110.806 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.2 -30.92 58.13 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.9 t -66.38 -30.25 70.59 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.4 t-105 -107.48 110.32 22.23 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.766 -173.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -109.68 131.86 54.67 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -168.38 14.59 Favored Glycine 0 N--CA 1.436 -1.331 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.481 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -65.54 137.41 57.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.387 0.675 . . . . 0.0 111.18 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 31.4 t -116.65 111.54 19.99 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.14 31.68 3.12 Favored Glycine 0 N--CA 1.438 -1.212 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -149.19 94.67 2.26 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -58.58 -51.14 71.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.831 0.852 . . . . 0.0 113.019 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -69.92 -32.23 70.4 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.156 -0.34 . . . . 0.0 111.296 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.22 -42.28 80.05 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.9 t -56.22 -50.91 69.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.377 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.15 -49.13 79.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.754 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -64.16 -44.23 92.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -68.0 -38.16 82.29 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.98 -56.31 23.28 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.351 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.4 -27.18 68.91 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.494 0.496 . . . . 0.0 112.264 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.82 -53.29 9.4 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -79.25 -59.69 2.66 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.93 175.11 8.8 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -120.04 86.29 2.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.78 -0.575 . . . . 0.0 109.61 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -129.1 99.05 5.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.595 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.25 -13.28 57.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.644 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 94.3 m-85 -87.37 -4.62 59.04 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -159.99 43.7 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.73 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.86 168.57 29.98 Favored Glycine 0 N--CA 1.427 -1.931 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.42 161.76 41.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.2 m -81.98 124.34 29.68 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 t-80 -127.59 132.5 49.81 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 12.2 t80 -90.21 115.11 27.19 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 58.8 tt0 -125.72 172.27 9.94 Favored 'General case' 0 C--N 1.268 -2.95 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.414 ' N ' ' HG2' ' A' ' 42' ' ' GLN . 91.2 t80 -68.13 127.34 93.29 Favored Pre-proline 0 C--N 1.278 -2.5 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -103.84 2.65 12.9 Favored 'Cis proline' 0 CA--C 1.557 1.63 0 N-CA-C 114.906 1.079 . . . . 0.0 114.906 -0.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 p -145.35 169.62 17.92 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 4.8 p -89.43 117.64 33.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 122.148 0.975 . . . . 0.0 110.907 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -124.48 -179.64 4.56 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.8 t -87.73 126.47 35.0 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 23.4 m-85 -123.15 118.76 28.41 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 120.966 0.412 . . . . 0.0 110.341 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -80.39 150.03 29.97 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.412 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 61.8 mttp -98.16 111.1 23.55 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -101.01 160.92 13.97 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.556 -0.857 . . . . 0.0 108.912 174.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 131.96 34.21 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--N 1.294 -1.809 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.549 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.6 t70 . . . . . 0 CA--C 1.5 -0.956 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.14 48.32 3.42 Favored Glycine 0 N--CA 1.437 -1.239 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.42 HG13 ' HG ' ' A' ' 5' ' ' LEU . 14.7 p -79.75 147.45 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.75 96.65 1.65 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.468 0.652 . . . . 0.0 111.588 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HG ' HG13 ' A' ' 3' ' ' VAL . 68.8 mt -112.31 124.48 52.57 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 174.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.3 m -99.05 132.66 44.2 Favored 'General case' 0 C--N 1.254 -3.569 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.569 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.3 117.86 23.27 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.295 -175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.8 109.75 55.1 Favored Pre-proline 0 C--N 1.296 -1.758 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.04 130.74 26.58 Favored 'Trans proline' 0 C--N 1.332 -0.331 0 C-N-CA 122.204 1.936 . . . . 0.0 113.207 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 m -72.8 122.51 21.68 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.33 -35.19 15.07 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 t -62.26 -36.75 82.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.739 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -72.67 108.58 5.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 p -104.62 107.99 19.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.007 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.39 -168.85 18.41 Favored Glycine 0 N--CA 1.42 -2.381 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.799 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -70.5 150.11 46.49 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 124.194 0.997 . . . . 0.0 111.528 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.9 t -108.49 111.37 23.2 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' C ' ' HG ' ' A' ' 19' ' ' SER . . . -130.55 32.13 3.12 Favored Glycine 0 N--CA 1.431 -1.694 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 176.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' A' ' 18' ' ' GLY . 50.1 m -152.39 104.94 2.97 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 m -67.17 -52.48 40.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.4 m -63.52 -40.11 96.2 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.402 0.144 . . . . 0.0 111.303 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.3 -36.59 84.61 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.57 -44.81 85.59 Favored 'General case' 0 C--O 1.251 1.142 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.9 m -59.34 -53.35 59.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.135 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -63.29 -39.65 95.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.679 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.1 tm0? -61.3 -52.49 64.47 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 122.577 0.351 . . . . 0.0 111.215 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.15 -28.45 54.18 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.399 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.86 -27.07 61.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.056 0.455 . . . . 0.0 109.905 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.84 -49.4 18.1 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.842 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 13.4 mmm180 -66.22 -55.8 14.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.519 -177.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -116.37 -172.16 2.13 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.998 0.427 . . . . 0.0 110.323 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -103.69 91.0 3.83 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -128.96 109.24 11.07 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.771 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.36 64.64 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.824 -176.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.11 8.61 38.68 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.86 -106.27 1.05 Allowed Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.226 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.93 167.45 35.99 Favored Glycine 0 N--CA 1.42 -2.392 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.18 175.39 11.42 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.68 123.94 28.6 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.8 t60 -134.11 149.24 51.08 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 77.6 t80 -90.39 134.06 34.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.257 1.027 . . . . 0.0 112.786 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -151.27 155.28 38.44 Favored 'General case' 0 C--N 1.275 -2.632 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 168.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.609 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 85.8 t80 -61.49 140.38 94.89 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.609 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 69.7 Cg_endo -94.06 -6.16 35.88 Favored 'Cis proline' 0 CA--C 1.539 0.732 0 N-CA-C 115.799 1.423 . . . . 0.0 115.799 4.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -160.17 162.04 33.77 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 64.0 t -58.62 116.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 O-C-N 123.96 0.788 . . . . 0.0 108.928 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -123.45 172.1 8.97 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.9 t -74.91 121.37 21.78 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.32 0.648 . . . . 0.0 109.647 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 m-85 -120.47 122.77 41.39 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.687 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -75.45 136.59 40.68 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.546 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -106.85 107.34 18.32 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.854 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 10.6 ptm180 -104.02 158.14 16.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.817 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -78.58 121.47 24.67 Favored 'General case' 0 N--CA 1.419 -2.005 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.276 -2.621 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.426 178.101 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 CA--C 1.493 -1.212 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.49 68.74 0.91 Allowed Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 p -121.07 148.73 24.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -93.99 147.24 23.31 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 174.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 61.1 mt -118.14 139.33 51.42 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.936 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -107.17 131.9 53.63 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.67 115.88 26.52 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.56 144.77 34.84 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.96 123.89 14.73 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.561 2.174 . . . . 0.0 111.512 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t -80.9 131.8 35.38 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.81 -27.28 35.2 Favored Glycine 0 N--CA 1.434 -1.471 0 C-N-CA 120.164 -1.017 . . . . 0.0 110.613 176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.5 p -69.0 -29.24 67.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.108 0.48 . . . . 0.0 112.127 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -110.65 117.08 32.53 Favored 'General case' 0 N--CA 1.427 -1.616 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.358 -175.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -114.73 151.3 33.94 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.68 -155.08 30.23 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.68 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -76.29 132.99 40.15 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.247 0.546 . . . . 0.0 111.063 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.99 101.25 13.58 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.65 -50.31 0.91 Allowed Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.706 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -85.18 91.42 8.13 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-O 121.331 0.586 . . . . 0.0 110.064 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -60.95 -50.96 71.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.545 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.72 -31.95 72.93 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.87 0.366 . . . . 0.0 110.312 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.08 -38.39 75.7 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.35 -36.43 81.39 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.547 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.522 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.2 m -59.42 -51.56 69.37 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -60.28 -49.39 77.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.626 0.579 . . . . 0.0 110.356 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -54.88 -51.75 65.0 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.638 0.775 . . . . 0.0 111.777 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 44.1 t -69.22 -34.99 75.71 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.1 -29.73 66.77 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.704 0.764 . . . . 0.0 110.21 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.51 -50.92 8.82 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.265 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -87.09 -35.99 18.38 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -174.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 41.8 mm-40 -101.48 -173.0 2.26 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.887 0.375 . . . . 0.0 110.136 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -109.34 56.43 0.62 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -131.96 103.17 6.15 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.79 68.11 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 123.405 0.682 . . . . 0.0 112.771 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -90.77 -4.3 56.77 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 121.046 0.45 . . . . 0.0 111.379 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.3 -122.0 10.66 Favored Glycine 0 N--CA 1.422 -2.245 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.522 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.84 171.23 35.44 Favored Glycine 0 N--CA 1.415 -2.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 167.76 21.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.4 m -88.6 130.5 35.25 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.509 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.0 t-80 -143.97 135.38 25.83 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -77.09 132.47 38.89 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.378 0.608 . . . . 0.0 111.209 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -142.98 139.89 30.82 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -54.59 129.3 62.75 Favored Pre-proline 0 C--N 1.308 -1.198 0 CA-C-N 118.566 0.621 . . . . 0.0 110.611 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -108.65 23.07 5.88 Favored 'Cis proline' 0 CA--C 1.553 1.446 0 N-CA-C 115.138 1.168 . . . . 0.0 115.138 2.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 p -151.02 161.88 41.89 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.1 104.35 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 174.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -106.1 165.26 11.35 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.6 131.15 45.79 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.509 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 41.2 m-85 -117.57 125.08 50.17 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.736 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HA ' ' CA ' ' A' ' 37' ' ' GLY . 99.3 m -77.84 133.84 38.1 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -99.05 105.91 18.08 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.4 ptm180 -94.48 154.38 17.45 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.66 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.45 125.53 27.06 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.819 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.3 -1.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.081 176.365 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.87 22.02 0.16 Allowed Glycine 0 N--CA 1.433 -1.505 0 C-N-CA 119.267 -1.444 . . . . 0.0 113.242 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.17 129.37 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.117 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -82.18 124.73 30.15 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.283 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.0 mt -113.85 136.15 53.19 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.751 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.2 m -107.08 150.49 26.49 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.276 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.45 120.88 31.93 Favored 'General case' 0 CA--C 1.498 -1.045 0 O-C-N 123.398 0.436 . . . . 0.0 110.294 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.44 136.48 27.2 Favored Pre-proline 0 C--N 1.3 -1.56 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.391 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -65.05 126.88 17.28 Favored 'Trans proline' 0 C--O 1.242 0.722 0 C-N-CA 122.213 1.942 . . . . 0.0 111.423 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.7 p -70.48 140.69 51.97 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.532 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.28 -35.53 6.6 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.23 -23.32 51.34 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -86.44 124.81 33.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -127.7 140.29 52.17 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.72 -149.66 16.64 Favored Glycine 0 N--CA 1.426 -1.971 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -93.28 143.6 26.11 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.751 0.82 . . . . 0.0 109.086 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.27 100.88 12.6 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.98 23.09 8.35 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 t -148.79 106.07 3.63 Favored 'General case' 0 N--CA 1.419 -1.994 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -71.66 -31.06 66.41 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.633 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 p -80.01 -41.33 26.02 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.081 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.65 -26.78 60.92 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.27 -51.62 69.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 173.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m -59.28 -51.75 68.6 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-O 121.108 0.48 . . . . 0.0 110.645 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.71 -55.46 34.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.868 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.4 -37.65 88.09 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.585 0.231 . . . . 0.0 110.497 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.6 t -54.92 -60.96 2.66 Favored 'General case' 0 C--O 1.299 3.691 0 C-N-CA 123.367 0.667 . . . . 0.0 110.804 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 48.0 mtmt -62.33 -50.58 71.06 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.728 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.27 -46.35 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.187 0.929 . . . . 0.0 112.337 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -70.17 -67.21 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -177.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -171.47 22.6 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 117.636 -1.625 . . . . 0.0 114.518 -170.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 70.7 m80 -106.52 -112.92 0.27 Allowed 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.374 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 73.1 m-85 -133.87 153.75 51.53 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.043 -171.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -14.53 61.36 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.501 1.12 . . . . 0.0 112.032 -177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 90.7 m-85 -85.55 -1.58 57.25 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.956 0.408 . . . . 0.0 111.055 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.75 -146.35 38.34 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.107 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.41 169.21 41.84 Favored Glycine 0 N--CA 1.414 -2.778 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.97 27.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.3 m -78.4 119.78 22.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 49.0 t-80 -129.52 129.95 45.17 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 49.5 t80 -68.87 140.88 55.19 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.603 0.716 . . . . 0.0 112.43 -176.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -154.07 151.44 29.31 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.51 137.66 97.2 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -101.8 7.81 18.09 Favored 'Cis proline' 0 CA--C 1.553 1.45 0 C-N-CA 124.42 -1.075 . . . . 0.0 114.04 0.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -160.11 152.13 20.39 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.2 p -58.51 127.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 O-C-N 123.896 0.747 . . . . 0.0 111.518 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -113.43 164.79 13.15 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.461 -173.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.42 113.55 20.25 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.7 m-85 -107.87 119.69 40.16 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.23 0.538 . . . . 0.0 109.876 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.1 m -85.17 149.01 25.82 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.112 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 48.7 mmtm -95.0 107.24 19.28 Favored 'General case' 0 N--CA 1.421 -1.902 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.246 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -95.52 155.94 16.53 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.0 131.97 34.4 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.5 m . . . . . 0 C--N 1.283 -2.284 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.704 177.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.491 -1.295 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.19 -57.32 3.21 Favored Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 p -92.34 142.48 13.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 11.1 mptt -93.6 103.38 15.56 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.282 0.563 . . . . 0.0 110.079 -175.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 48.3 mt -103.63 132.4 49.91 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.4 m -104.02 128.6 51.61 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.02 118.66 19.02 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.08 125.94 29.32 Favored Pre-proline 0 C--N 1.31 -1.139 0 C-N-CA 124.328 1.051 . . . . 0.0 109.449 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.38 125.43 15.05 Favored 'Trans proline' 0 C--O 1.245 0.849 0 C-N-CA 122.124 1.882 . . . . 0.0 111.499 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -81.14 108.1 14.5 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.67 -13.39 71.56 Favored Glycine 0 C--O 1.239 0.431 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.967 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.9 p -81.92 -14.17 56.5 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.001 0.429 . . . . 0.0 111.32 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -93.68 140.3 29.8 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -135.03 141.0 46.07 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.24 -157.93 25.25 Favored Glycine 0 N--CA 1.428 -1.87 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.208 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -83.54 123.71 30.02 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 123.367 0.667 . . . . 0.0 110.226 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.18 102.13 12.37 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.55 16.07 19.45 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -146.47 104.79 3.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -77.25 -22.24 52.46 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.5 p -71.91 -41.14 68.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.127 0.489 . . . . 0.0 110.057 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -71.35 -35.98 71.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.3 t -56.69 -55.96 27.44 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.786 0.678 . . . . 0.0 110.05 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 8.5 p -60.33 -46.74 88.84 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.21 -43.55 97.81 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 27.0 tt0 -64.61 -45.9 84.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 t -53.83 -53.14 56.63 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.282 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -63.66 -34.43 77.83 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.144 0.578 . . . . 0.0 111.625 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.39 -35.44 63.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.108 0.48 . . . . 0.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 4.8 mmp_? -69.25 -54.14 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.111 176.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -139.73 150.43 44.81 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 75.9 10.11 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -92.46 108.23 19.81 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.193 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.58 70.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 123.45 0.7 . . . . 0.0 111.539 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.58 1.98 56.52 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.088 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -135.93 41.47 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 116.238 -0.437 . . . . 0.0 113.215 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -168.26 167.18 40.04 Favored Glycine 0 N--CA 1.422 -2.235 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.29 168.12 23.38 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.78 135.85 38.98 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.606 0.241 . . . . 0.0 110.526 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.613 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 19.4 t60 -144.39 140.5 29.07 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 3.4 t80 -89.21 114.97 26.35 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -114.38 -88.76 0.56 Allowed 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.982 173.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -159.0 130.22 3.85 Favored Pre-proline 0 C--N 1.278 -2.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.995 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -96.28 1.01 40.16 Favored 'Cis proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.977 -1.26 . . . . 0.0 111.609 -3.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -134.56 179.9 6.0 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 -173.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.467 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 39.5 t -75.15 117.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.42 167.65 11.73 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -81.43 124.66 29.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 29.6 m-85 -122.77 117.58 26.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.995 0.426 . . . . 0.0 111.433 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.34 143.5 33.51 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.41 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 92.7 mttt -99.75 100.93 11.95 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 16.4 ptm180 -84.09 143.65 29.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.174 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -83.15 95.41 8.09 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.115 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.1 m . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.272 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.489 -1.392 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.8 -155.12 16.3 Favored Glycine 0 N--CA 1.419 -2.444 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.0 m -87.21 123.55 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.736 0 CA-C-O 121.419 0.628 . . . . 0.0 110.813 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.11 135.41 33.79 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 mt -110.78 142.12 43.18 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.676 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 m -107.51 133.29 52.2 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -83.57 110.62 18.39 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.222 0.535 . . . . 0.0 110.644 -177.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.11 125.33 44.16 Favored Pre-proline 0 C--N 1.295 -1.761 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.8 112.58 1.53 Allowed 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.882 1.722 . . . . 0.0 109.927 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.9 m -67.52 108.84 2.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.286 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.96 -16.87 75.03 Favored Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 p -68.36 -40.42 81.49 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 114.463 -0.868 . . . . 0.0 110.004 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -98.7 99.43 10.54 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.597 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -107.57 109.34 20.96 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.87 -167.84 24.97 Favored Glycine 0 N--CA 1.427 -1.911 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -74.51 130.37 39.47 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 123.911 0.418 . . . . 0.0 110.244 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.67 97.15 8.78 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.0 -33.64 2.75 Favored Glycine 0 C--N 1.294 -1.782 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 m -85.66 93.77 8.92 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 114.937 -0.631 . . . . 0.0 109.926 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -65.85 -48.4 71.73 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.339 -0.846 . . . . 0.0 113.022 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -66.31 -35.81 81.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 120.958 0.409 . . . . 0.0 110.159 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -64.86 -44.0 91.16 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.638 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.38 -48.45 74.28 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.356 0.662 . . . . 0.0 110.473 174.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.402 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.9 m -59.21 -52.88 63.76 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.92 -43.91 74.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -61.57 -45.05 95.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.1 -46.18 91.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.266 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -71.46 -22.87 61.76 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.041 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.04 -44.06 10.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.983 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -75.32 -47.39 27.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.047 0.451 . . . . 0.0 110.611 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -107.17 179.89 4.13 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -120.82 87.39 2.74 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.366 -1.734 . . . . 0.0 111.625 177.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.43 118.04 28.39 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.59 74.33 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.2 0.524 . . . . 0.0 111.836 -173.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -90.54 5.37 48.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.777 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 57.97 -126.96 43.86 Favored Glycine 0 N--CA 1.429 -1.824 0 CA-C-N 114.629 -1.169 . . . . 0.0 112.228 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -153.55 170.52 32.34 Favored Glycine 0 N--CA 1.407 -3.284 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.03 163.32 38.45 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.23 135.03 36.66 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.665 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.7 t60 -142.64 141.53 31.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -177.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -91.95 128.9 37.96 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.306 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -139.68 145.81 38.86 Favored 'General case' 0 C--N 1.279 -2.457 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 83.4 t80 -52.24 127.79 39.11 Favored Pre-proline 0 C--N 1.31 -1.137 0 CA-C-N 118.001 0.364 . . . . 0.0 110.589 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 56.2 Cg_endo -115.56 33.64 0.9 Allowed 'Cis proline' 0 CA--C 1.553 1.431 0 CA-C-N 118.912 0.647 . . . . 0.0 112.88 -2.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -150.12 153.22 36.01 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.157 -0.964 . . . . 0.0 112.612 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.8 106.5 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -114.91 167.47 10.76 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -84.52 130.57 34.73 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 51.6 m-85 -125.2 115.48 20.48 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.58 133.44 45.75 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.679 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -98.44 105.56 17.72 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.255 0.55 . . . . 0.0 111.29 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -89.36 149.7 22.89 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.468 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -80.92 113.8 19.37 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.367 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 CA--C 1.502 -0.874 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.79 -31.75 80.75 Favored Glycine 0 CA--C 1.504 -0.612 0 O-C-N 123.505 0.503 . . . . 0.0 112.142 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.403 HG13 ' HG3' ' A' ' 53' ' ' GLN . 74.5 t -76.24 130.51 36.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -76.03 123.22 25.41 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.3 mt -118.27 150.04 40.13 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.111 -176.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.2 m -116.84 145.3 43.64 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -89.53 130.2 35.89 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.1 132.51 24.39 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.01 125.02 13.45 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 121.741 1.628 . . . . 0.0 111.056 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 t -84.17 114.28 21.68 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -19.27 78.6 Favored Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.769 -175.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -96.77 20.01 11.62 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.501 ' CZ3' ' HA ' ' A' ' 23' ' ' CYS . 61.7 t-105 -95.14 139.76 31.02 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -90.64 99.96 12.9 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.442 0.639 . . . . 0.0 111.937 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.85 -125.18 27.55 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -75.41 137.49 41.05 Favored 'General case' 0 C--N 1.313 -0.978 0 C-N-CA 124.158 0.983 . . . . 0.0 111.843 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 34.9 t -100.25 109.87 22.11 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.65 5.65 26.16 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.484 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -154.0 109.58 3.2 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -62.37 -29.39 70.44 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 m -74.8 -30.44 61.42 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.549 0.214 . . . . 0.0 110.86 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -70.31 -38.13 74.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 32.3 t -57.55 -54.0 51.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.11 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.2 p -60.15 -48.22 82.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.35 -50.73 72.02 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.542 0.527 . . . . 0.0 110.172 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.55 -42.96 81.81 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.127 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 43.7 t -55.13 -46.34 75.62 Favored 'General case' 0 C--O 1.277 2.518 0 C-N-CA 122.705 0.402 . . . . 0.0 111.121 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HB3' ' HZ1' ' A' ' 28' ' ' LYS . 7.2 mtpm? -64.15 -45.96 86.18 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.284 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.11 -35.42 78.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.545 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -69.9 -80.78 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.5 20.15 0.02 OUTLIER 'General case' 0 C--O 1.247 0.933 0 C-N-CA 118.106 -1.438 . . . . 0.0 114.146 -166.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.671 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 89.3 m-70 -117.05 -97.82 0.46 Allowed 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.5 m-85 -141.91 156.38 45.5 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -167.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.36 -14.23 62.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 123.197 0.599 . . . . 0.0 111.188 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -75.72 -18.07 59.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.0 -132.55 17.23 Favored Glycine 0 N--CA 1.428 -1.867 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.081 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 51' ' ' LYS . . . -168.12 -179.4 40.59 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.09 160.88 39.15 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -83.39 113.78 20.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 120.683 0.278 . . . . 0.0 110.504 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.659 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 63.1 t60 -119.72 138.87 53.04 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 114.54 12.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.289 0.566 . . . . 0.0 110.415 -175.097 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -109.32 152.78 24.82 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 68.2 t80 -88.29 130.51 45.62 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 79.8 Cg_endo -93.58 -6.92 35.96 Favored 'Cis proline' 0 CA--C 1.549 1.236 0 C-N-CA 123.84 -1.317 . . . . 0.0 115.018 2.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.2 p -129.87 143.35 50.76 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 45.5 t -52.75 126.23 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.358 1.063 . . . . 0.0 110.397 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.44 159.77 23.62 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.77 115.49 18.49 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 24.5 m-85 -106.76 110.48 22.67 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.3 m -74.71 149.14 39.96 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.253 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 32.3 mtpt -108.93 109.46 20.55 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.126 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ptm180 -87.75 153.22 21.52 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HG3' HG13 ' A' ' 3' ' ' VAL . 23.2 tt0 -78.9 125.93 30.02 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--N 1.292 -1.9 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.559 0.219 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.13 79.69 1.16 Allowed Glycine 0 CA--C 1.498 -1.02 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -119.73 130.22 74.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -85.4 127.87 34.52 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.8 mt -112.27 160.21 17.87 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 m -126.04 142.94 51.3 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.83 122.19 28.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.066 0.46 . . . . 0.0 110.93 -177.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 50' ' ' CYS . 58.6 t -110.8 110.89 57.0 Favored Pre-proline 0 C--N 1.295 -1.789 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.13 118.75 5.65 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.059 1.839 . . . . 0.0 111.468 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -69.21 111.46 5.16 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.674 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.42 72.4 Favored Glycine 0 C--N 1.322 -0.21 0 O-C-N 123.25 0.344 . . . . 0.0 113.004 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -75.83 -21.07 57.64 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.435 ' HB2' HE22 ' A' ' 26' ' ' GLN . 2.1 t-105 -105.7 112.19 25.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -123.19 152.73 40.93 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.97 -109.18 2.99 Favored Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.825 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -131.31 130.26 42.53 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.36 99.23 11.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.11 38.47 2.75 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.573 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -153.05 96.71 2.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -61.12 -45.58 94.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.167 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 t -67.24 -40.03 86.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.025 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.61 -28.36 62.72 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.099 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.3 t -66.92 -44.44 80.69 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.2 m -61.38 -47.84 83.97 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.479 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.77 -50.35 68.68 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 123.954 0.902 . . . . 0.0 111.042 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.435 HE22 ' HB2' ' A' ' 13' ' ' TRP . 6.5 tt0 -57.19 -46.23 83.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.104 0.478 . . . . 0.0 110.741 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -65.93 -37.45 86.09 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.241 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -76.18 -21.72 56.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.532 . . . . 0.0 110.507 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.11 -54.16 5.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.218 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -75.3 -50.86 14.73 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.588 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -106.22 -170.63 1.76 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -128.74 87.55 2.59 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -128.61 115.61 18.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.64 -13.88 62.53 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.387 0.613 . . . . 0.0 111.133 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.25 -9.2 55.69 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.4 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.25 -127.4 14.45 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.121 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.73 158.73 28.02 Favored Glycine 0 N--CA 1.423 -2.233 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 -177.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.2 155.25 47.94 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 117.666 0.733 . . . . 0.0 110.668 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.8 m -73.02 113.14 9.71 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -128.62 128.15 43.63 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.351 -172.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 t80 -86.14 84.97 7.36 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -99.9 -70.1 0.74 Allowed 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.687 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -163.76 133.61 3.15 Favored Pre-proline 0 C--N 1.257 -3.446 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.371 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -96.74 1.11 38.01 Favored 'Cis proline' 0 C--O 1.244 0.79 0 C-N-CA 124.778 -0.926 . . . . 0.0 110.617 -6.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -145.91 -179.99 7.08 Favored 'General case' 0 C--O 1.253 1.245 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.9 p -83.36 103.92 11.25 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.832 1.301 . . . . 0.0 110.086 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -118.65 171.05 8.46 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 113.417 -1.72 . . . . 0.0 107.362 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.85 124.99 29.55 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.6 115.47 20.87 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.89 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.409 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 57.1 m -73.25 146.85 45.13 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.173 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -103.26 109.23 20.76 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.284 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -92.78 150.66 20.49 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -78.21 120.84 23.58 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.5 m . . . . . 0 C--N 1.298 -1.659 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.586 177.658 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.489 -1.391 0 CA-C-O 120.56 0.219 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.99 -26.62 48.45 Favored Glycine 0 N--CA 1.435 -1.419 0 O-C-N 123.964 0.79 . . . . 0.0 112.195 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.8 m -61.81 130.39 26.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-O 121.23 0.538 . . . . 0.0 110.651 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -89.91 139.79 30.25 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 42.3 mt -121.43 139.19 53.79 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 62.7 m -100.33 122.93 43.89 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 5.3 m-20 -81.3 99.81 8.85 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -95.34 121.71 61.27 Favored Pre-proline 0 C--N 1.301 -1.532 0 C-N-CA 123.046 0.538 . . . . 0.0 110.495 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -64.24 119.78 6.92 Favored 'Trans proline' 0 C--O 1.25 1.101 0 C-N-CA 122.387 2.058 . . . . 0.0 111.51 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 t -64.19 122.89 17.71 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.885 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.35 -35.54 29.41 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -72.86 -39.24 66.63 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.629 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -73.58 114.51 11.9 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.89 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -131.58 148.83 52.65 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.742 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . 105.3 -109.4 3.24 Favored Glycine 0 N--CA 1.435 -1.397 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.556 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -131.34 155.9 46.44 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.95 108.11 7.24 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.93 -28.14 8.97 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -118.8 98.86 6.42 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -62.29 -27.15 68.83 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -72.34 -14.85 61.84 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.454 -0.779 . . . . 0.0 111.384 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -76.55 -42.5 42.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.6 p -74.91 -30.51 61.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.2 t -60.31 -46.43 89.89 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -62.35 -46.03 90.49 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.08 -55.16 19.01 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.221 0.951 . . . . 0.0 110.577 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 90.4 m -66.25 -42.81 88.04 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -67.65 -24.27 65.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.202 0.456 . . . . 0.0 111.865 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -89.4 -58.99 2.33 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.517 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -74.19 -39.86 62.88 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.679 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.58 -172.69 2.09 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -103.22 27.24 7.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 98.2 m-85 -90.47 76.87 6.59 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.24 65.15 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.296 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 91.8 m-85 -85.99 -2.41 58.27 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.467 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 -157.7 37.23 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.184 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.25 169.25 34.81 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.21 150.82 43.19 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.9 m -102.43 137.56 40.51 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.013 0.435 . . . . 0.0 110.916 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.423 ' HD2' ' O ' ' A' ' 41' ' ' TYR . 7.1 t60 -145.47 143.08 29.8 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' O ' ' HD2' ' A' ' 40' ' ' HIS . 90.6 t80 -75.05 131.52 40.64 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.777 0.798 . . . . 0.0 111.068 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -137.56 148.65 46.08 Favored 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -63.21 132.25 95.04 Favored Pre-proline 0 C--N 1.286 -2.173 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.443 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -105.86 12.85 9.25 Favored 'Cis proline' 0 CA--C 1.55 1.322 0 C-N-CA 124.751 -0.937 . . . . 0.0 114.498 -0.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.503 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 23.5 p -145.76 159.21 43.51 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.988 -0.445 . . . . 0.0 112.081 -173.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.0 t -73.84 113.07 11.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -104.69 143.38 33.17 Favored 'General case' 0 N--CA 1.419 -1.987 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -96.62 129.92 43.93 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.505 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 59.9 m-85 -111.06 107.81 17.32 Favored 'General case' 0 N--CA 1.411 -2.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.7 m -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.869 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 52.9 mtmt -92.45 121.83 34.3 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -107.92 149.74 27.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 170.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' HB2' ' CE1' ' A' ' 35' ' ' TYR . 7.2 tt0 -75.39 126.91 31.97 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.288 -2.084 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.872 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.489 -1.368 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.1 23.76 13.5 Favored Glycine 0 C--N 1.311 -0.824 0 C-N-CA 121.432 -0.413 . . . . 0.0 112.16 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.34 134.53 23.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 C-N-CA 123.471 0.708 . . . . 0.0 110.147 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 3.4 mptp? -87.26 119.82 27.91 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.427 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 74.8 mt -106.63 130.4 54.39 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.784 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.84 141.08 30.47 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.052 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 51.0 m-20 -94.21 113.23 25.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.697 0.761 . . . . 0.0 111.025 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.2 t -102.38 115.65 64.16 Favored Pre-proline 0 C--N 1.297 -1.708 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.27 126.29 21.58 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.813 2.342 . . . . 0.0 111.794 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 m -76.55 123.05 25.49 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.61 -20.29 24.95 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -80.04 -8.95 59.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-O 121.723 0.773 . . . . 0.0 109.2 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -110.4 128.42 55.57 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -119.94 127.51 52.73 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.417 0.627 . . . . 0.0 111.983 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.88 -147.37 18.65 Favored Glycine 0 N--CA 1.425 -2.047 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.096 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -83.85 136.5 34.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.307 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.0 t -102.06 117.09 34.08 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.016 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.67 1.69 42.21 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.883 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 t -150.36 113.18 4.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 120.848 0.356 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -66.66 -27.28 67.54 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.075 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 t -76.06 -39.35 55.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.827 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.86 -48.7 80.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.49 -31.3 69.48 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.521 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -60.3 -49.73 76.44 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.16 -36.3 77.24 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.275 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.03 -53.19 60.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.692 0.282 . . . . 0.0 110.265 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.4 t -70.06 -36.65 75.14 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -177.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.59 -37.52 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.931 0.396 . . . . 0.0 111.018 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.87 -39.54 26.25 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -79.8 -43.64 22.09 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 120.683 0.277 . . . . 0.0 111.598 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.84 -165.4 1.07 Allowed 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.815 0.446 . . . . 0.0 110.459 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -102.33 21.32 15.26 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -87.99 102.11 14.42 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.689 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.47 72.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.161 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.03 7.72 45.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.476 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.62 -123.58 33.25 Favored Glycine 0 N--CA 1.433 -1.529 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.442 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.02 166.48 34.06 Favored Glycine 0 N--CA 1.414 -2.789 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.29 160.91 38.72 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.6 m -109.12 135.77 49.71 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.473 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -136.15 156.44 48.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -173.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -74.9 136.9 41.43 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 122.059 0.933 . . . . 0.0 112.461 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -150.0 141.11 23.03 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 75.9 t80 -64.4 136.22 96.67 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 59.4 Cg_endo -94.85 -16.15 12.01 Favored 'Cis proline' 0 CA--C 1.549 1.249 0 C-N-CA 123.758 -1.351 . . . . 0.0 114.819 0.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -128.87 149.23 50.85 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.849 -0.532 . . . . 0.0 111.459 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.84 117.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 123.2 0.6 . . . . 0.0 109.857 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.86 163.6 14.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.372 -174.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.9 t -92.81 141.85 27.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 120.972 0.415 . . . . 0.0 110.341 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 82.8 m-85 -132.12 119.2 20.62 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -109.53 107.1 17.09 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.962 -172.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 31.1 ptt85 -97.32 158.05 15.66 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.8 117.54 20.01 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.485 0.714 . . . . 0.0 110.775 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.293 -1.886 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.279 175.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.43 -42.42 6.96 Favored Glycine 0 N--CA 1.442 -0.919 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 176.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -85.61 139.56 17.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -81.01 116.59 21.04 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 47.4 mt -109.4 135.54 50.27 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 121.569 0.699 . . . . 0.0 109.608 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.5 m -106.07 132.23 52.4 Favored 'General case' 0 C--N 1.277 -2.563 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -76.81 109.03 10.26 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG11 ' O ' ' A' ' 50' ' ' CYS . 9.4 p -102.96 123.35 42.4 Favored Pre-proline 0 C--N 1.307 -1.262 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.53 117.61 3.84 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.933 2.422 . . . . 0.0 111.386 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -73.63 105.92 5.16 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.54 -23.65 77.56 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -67.91 -27.99 67.12 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 115.147 -0.526 . . . . 0.0 111.342 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -88.64 140.82 29.07 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 m -126.93 114.18 17.5 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.62 -154.7 17.91 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.453 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 54.1 t60 -77.03 133.39 39.12 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.297 0.639 . . . . 0.0 111.2 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 35.1 t -87.5 96.63 10.46 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.5 -35.67 3.26 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -94.39 98.05 10.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.105 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -62.51 -35.48 79.52 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 123.107 0.563 . . . . 0.0 111.14 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -69.19 -36.62 77.51 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -72.43 -36.22 68.52 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.287 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.5 t -51.78 -56.78 11.86 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.118 0.886 . . . . 0.0 110.388 176.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.6 p -66.6 -54.07 27.47 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.916 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -56.93 -44.41 82.44 Favored 'General case' 0 C--O 1.189 -2.097 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.735 -175.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.3 -52.16 64.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.42 ' HB2' ' ND1' ' A' ' 32' ' ' HIS . 26.7 p -74.27 -32.08 62.78 Favored 'General case' 0 C--O 1.261 1.697 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.318 -175.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.5 -43.29 81.24 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.387 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.38 -39.61 94.99 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 123.324 0.65 . . . . 0.0 109.658 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.576 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 15.6 tpp180 -61.29 -82.07 0.02 OUTLIER 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.075 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 28.7 mt-10 179.05 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.865 1.666 . . . . 0.0 108.999 -177.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 27' ' ' CYS . 61.8 m80 -140.32 -96.29 0.15 Allowed 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.72 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -146.32 145.8 30.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -174.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -20.22 66.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.588 0.555 . . . . 0.0 111.582 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -67.98 -23.63 65.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.786 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.85 5.3 Favored Glycine 0 N--CA 1.423 -2.215 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.19 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.14 -176.78 44.63 Favored Glycine 0 N--CA 1.417 -2.578 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.631 -176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.4 163.11 39.69 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.44 127.85 34.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.633 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 74.7 t60 -141.7 144.44 34.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.6 t80 -86.92 125.72 34.22 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.673 -0.642 . . . . 0.0 111.69 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -133.3 -84.81 0.45 Allowed 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.024 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -158.77 136.15 7.05 Favored Pre-proline 0 C--N 1.274 -2.693 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.153 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -89.17 -10.51 39.33 Favored 'Cis proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.702 -1.374 . . . . 0.0 110.556 -4.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 m -131.53 -178.49 4.88 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.646 -174.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 58.2 t -55.84 122.85 5.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 171.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -116.32 159.75 21.47 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -173.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -84.09 132.61 34.69 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.633 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.9 m-85 -125.56 117.32 23.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.453 ' O ' HG11 ' A' ' 8' ' ' VAL . 32.8 m -78.92 144.08 35.2 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.1 mttt -95.59 107.54 19.73 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.315 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -88.15 141.18 28.77 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.018 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.46 115.8 13.27 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.794 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 C--N 1.295 -1.782 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.226 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 CA--C 1.506 -0.714 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.26 -70.02 2.87 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 112.285 -0.326 . . . . 0.0 112.285 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 p -89.7 141.95 13.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.5 mptt -95.35 122.93 38.57 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.4 mt -114.01 162.16 16.79 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.387 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.2 117.4 24.52 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.33 103.4 4.71 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.041 0.448 . . . . 0.0 110.302 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -103.59 118.59 57.15 Favored Pre-proline 0 C--N 1.311 -1.096 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.63 130.4 23.39 Favored 'Trans proline' 0 C--O 1.246 0.89 0 C-N-CA 122.477 2.118 . . . . 0.0 111.834 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m -98.85 132.97 43.79 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-O 121.141 0.496 . . . . 0.0 111.73 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.66 -7.65 74.86 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 p -76.46 -24.8 53.87 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.899 0.88 . . . . 0.0 110.44 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.407 ' CZ3' ' HA ' ' A' ' 23' ' ' CYS . 46.7 t-105 -91.46 135.41 33.86 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -101.09 112.83 25.4 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.87 -126.79 7.69 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -84.18 145.04 28.58 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 124.249 1.019 . . . . 0.0 112.172 -170.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 49.8 t -112.2 107.52 16.44 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.41 -32.94 2.61 Favored Glycine 0 C--N 1.302 -1.356 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -99.29 104.37 16.28 Favored 'General case' 0 N--CA 1.416 -2.164 0 CA-C-O 121.568 0.699 . . . . 0.0 110.559 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 m -70.31 -33.65 71.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.334 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -69.67 -40.18 76.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.64 -40.44 84.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.422 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.4 t -52.63 -56.37 15.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.178 0.924 . . . . 0.0 110.073 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 4.3 p -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.64 -46.39 89.14 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.44 -45.45 76.02 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.179 0.445 . . . . 0.0 111.061 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.7 t -67.4 -44.27 79.26 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-O 121.843 0.83 . . . . 0.0 110.529 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -75.39 -21.59 58.14 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.56 -36.06 45.09 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' ' HG2' ' A' ' 31' ' ' GLU . 21.3 tpp180 -65.6 -70.81 0.22 Allowed 'General case' 0 N--CA 1.411 -2.414 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.916 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 10.6 pt-20 -178.42 12.28 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.276 51.6 m-70 -89.84 -94.08 0.12 Allowed 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -166.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -143.18 163.43 32.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.523 0.602 . . . . 0.0 110.683 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.26 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.316 0.579 . . . . 0.0 110.477 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.31 20.08 12.13 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 24' ' ' SER . . . -71.24 69.64 0.85 Allowed Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 24' ' ' SER . . . 153.06 121.5 0.86 Allowed Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.312 -0.947 . . . . 0.0 114.205 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.37 144.16 22.73 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.3 m -76.1 120.65 21.7 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.604 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.7 t-160 -129.64 131.69 46.51 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 86.6 t80 -66.53 132.04 47.35 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.829 0.823 . . . . 0.0 111.677 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -132.97 157.27 45.59 Favored 'General case' 0 C--N 1.278 -2.515 0 N-CA-C 104.671 -2.344 . . . . 0.0 104.671 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -82.82 131.69 53.69 Favored Pre-proline 0 C--N 1.282 -2.342 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 176.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -100.16 2.28 23.46 Favored 'Cis proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.357 -1.101 . . . . 0.0 113.463 -1.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -129.13 149.28 51.01 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -174.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 57.5 t -67.27 122.55 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -123.58 166.99 14.51 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.44 110.97 18.61 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 123.628 0.771 . . . . 0.0 110.089 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.604 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 6.6 m-85 -107.36 123.84 48.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.81 112.37 24.1 Favored 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.429 -177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -73.24 119.46 17.51 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.378 -176.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -95.11 155.12 16.86 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -82.12 130.81 35.19 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.294 -1.815 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.61 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 CA--C 1.503 -0.829 0 CA-C-O 121.24 0.543 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.92 40.81 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -94.92 142.43 13.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 120.786 0.327 . . . . 0.0 110.221 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -81.15 108.25 14.65 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 61.3 mt -97.14 145.96 25.51 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.332 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -117.16 139.53 50.64 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.097 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -83.9 110.38 18.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.599 0.562 . . . . 0.0 111.013 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.25 121.87 39.24 Favored Pre-proline 0 C--N 1.301 -1.51 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 122.25 11.15 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.388 2.058 . . . . 0.0 111.436 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -67.38 104.0 1.42 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.475 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.16 -23.23 78.02 Favored Glycine 0 CA--C 1.504 -0.623 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -94.55 14.85 19.57 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.221 0.534 . . . . 0.0 110.979 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.485 ' CE3' ' HA ' ' A' ' 23' ' ' CYS . 73.8 t-105 -111.37 133.61 53.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -91.83 102.19 14.79 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.153 0.501 . . . . 0.0 112.18 -175.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.98 -123.68 18.78 Favored Glycine 0 C--O 1.245 0.806 0 N-CA-C 116.294 1.278 . . . . 0.0 116.294 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.52 131.85 46.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.726 0.81 . . . . 0.0 112.428 -173.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.68 98.07 11.19 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.57 -43.03 2.79 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 119.9 -1.143 . . . . 0.0 110.304 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -103.45 109.43 21.07 Favored 'General case' 0 N--CA 1.423 -1.808 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -62.18 -37.06 83.84 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.161 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 t -68.75 -40.4 79.8 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.15 0.5 . . . . 0.0 110.542 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.76 -38.11 67.46 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.781 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.7 p -65.92 -43.63 87.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.741 -0.784 . . . . 0.0 110.068 -177.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -65.19 -51.08 63.26 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.159 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -59.73 -43.52 94.16 Favored 'General case' 0 C--O 1.212 -0.901 0 O-C-N 123.558 0.536 . . . . 0.0 111.12 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -66.84 -46.18 75.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.005 0.431 . . . . 0.0 110.835 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.0 t -56.52 -51.11 69.76 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 124.296 1.038 . . . . 0.0 109.846 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -60.97 -54.93 38.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 126.433 1.893 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.73 -37.27 75.8 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 123.896 0.879 . . . . 0.0 111.721 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -75.91 -73.72 0.25 Allowed 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -157.4 29.25 0.29 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 118.971 0.805 . . . . 0.0 113.039 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.297 79.1 m80 -118.66 -109.68 0.35 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -137.28 150.65 47.95 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.165 -170.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -3.06 28.24 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 112.151 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.1 -10.25 50.67 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.455 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -138.47 33.47 Favored Glycine 0 N--CA 1.434 -1.457 0 C-N-CA 120.487 -0.864 . . . . 0.0 111.555 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.84 -172.88 38.23 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.62 168.15 24.38 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.6 m -83.12 129.22 35.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.1 t60 -134.4 144.29 48.1 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -80.12 134.82 36.2 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.536 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -145.67 161.36 40.05 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.22 135.56 79.5 Favored Pre-proline 0 C--N 1.286 -2.165 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -108.2 22.35 6.49 Favored 'Cis proline' 0 CA--C 1.55 1.303 0 CA-C-N 119.633 0.905 . . . . 0.0 113.251 -0.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -159.25 157.23 30.24 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.65 118.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -123.42 165.56 16.84 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.8 t -91.56 139.62 30.52 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.704 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 31.0 m-85 -125.21 120.23 30.71 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.354 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -90.71 143.83 26.34 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.196 0.522 . . . . 0.0 111.375 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 54.6 mtmt -93.79 117.27 29.87 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.428 -172.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 5.0 ptm180 -104.82 151.29 23.98 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -77.51 117.58 19.1 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 123.593 0.558 . . . . 0.0 110.341 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.684 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp . . . . . 0 N--CA 1.44 -0.939 0 CA-C-O 120.886 0.374 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.64 140.35 43.58 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -110.19 124.57 51.82 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.426 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.07 107.07 12.57 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.03 138.67 19.73 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.604 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.18 142.17 59.94 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.444 2.096 . . . . 0.0 112.352 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -90.64 144.35 25.84 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.89 -19.61 19.09 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 p -75.53 -54.56 6.81 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 123.689 0.795 . . . . 0.0 110.765 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -79.51 135.85 36.74 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -146.36 157.95 43.84 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.56 -105.81 3.01 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.828 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -135.51 143.75 45.95 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 37.0 t -109.29 104.58 13.73 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.24 -20.53 12.19 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.078 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 p -127.06 115.15 18.75 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.33 0.586 . . . . 0.0 110.941 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 p -73.15 -23.1 60.41 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.0 p -68.89 -40.64 79.1 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.139 0.495 . . . . 0.0 110.259 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.05 -34.18 50.58 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 22.2 t -56.95 -51.15 70.32 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 123.486 0.492 . . . . 0.0 109.774 173.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -64.21 -41.28 97.11 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -59.84 -44.41 94.11 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.93 -48.37 78.43 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.496 0.498 . . . . 0.0 110.731 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.7 m -63.42 -40.5 97.35 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.92 -32.0 65.01 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.301 0.572 . . . . 0.0 110.78 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.93 -47.67 18.09 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.267 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -73.37 -46.55 48.4 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.161 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.7 -167.35 1.85 Allowed 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.27 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -91.05 26.51 2.12 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.274 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -88.32 78.57 7.96 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.99 63.64 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.465 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 53' ' ' GLN . 88.5 m-85 -85.6 -1.71 57.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.056 0.455 . . . . 0.0 110.779 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.5 -131.32 10.29 Favored Glycine 0 N--CA 1.424 -2.154 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.421 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.6 173.13 45.52 Favored Glycine 0 N--CA 1.419 -2.439 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.09 163.3 33.97 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.42 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 75.2 m -87.3 114.17 23.67 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.635 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 44.8 t60 -119.51 139.89 51.36 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 44.2 t80 -80.71 128.94 34.21 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 121.501 0.667 . . . . 0.0 110.399 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -138.49 166.41 24.36 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 53.1 t80 -78.01 133.29 65.53 Favored Pre-proline 0 C--N 1.292 -1.924 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 Cg_endo -101.41 3.9 19.33 Favored 'Cis proline' 0 CA--C 1.554 1.482 0 N-CA-C 114.681 0.993 . . . . 0.0 114.681 0.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.5 m -145.59 167.78 22.24 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.443 -0.786 . . . . 0.0 112.266 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.2 t -66.86 119.37 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -119.79 161.83 20.12 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.19 126.21 31.81 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 18.7 m-85 -120.71 124.09 44.31 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.7 m -83.41 141.62 31.59 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.336 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.22 109.08 21.91 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.086 0.469 . . . . 0.0 110.833 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -99.35 160.36 14.33 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' HB2' ' CE2' ' A' ' 35' ' ' TYR . 40.2 tt0 -89.62 137.61 32.19 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.276 -2.598 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.542 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 CA--C 1.49 -1.35 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 53' ' ' GLN . 51.8 mt -118.31 141.32 48.64 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.93 120.83 41.84 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 22.7 m-20 -91.35 106.21 18.33 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -101.27 135.0 19.98 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.2 120.24 7.62 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.254 1.97 . . . . 0.0 112.048 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -78.96 116.28 19.18 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.91 73.54 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.291 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -8.59 56.76 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.458 ' HB2' ' OE1' ' A' ' 26' ' ' GLN . 25.0 t-105 -100.75 124.65 46.68 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 t -125.09 141.21 52.26 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.57 -164.45 29.19 Favored Glycine 0 N--CA 1.433 -1.507 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -72.3 146.22 47.33 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 123.276 0.63 . . . . 0.0 110.37 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 t -109.74 100.11 9.17 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.34 -46.72 1.39 Allowed Glycine 0 N--CA 1.439 -1.146 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -83.01 102.59 11.85 Favored 'General case' 0 N--CA 1.424 -1.756 0 CA-C-O 121.112 0.482 . . . . 0.0 110.092 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -65.32 -30.61 71.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.106 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 m -73.34 -27.07 61.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.808 0.337 . . . . 0.0 111.352 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -74.98 -34.6 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.05 -48.04 75.21 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.985 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.442 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 12.7 p -64.12 -40.79 96.95 Favored 'General case' 0 N--CA 1.434 -1.245 0 O-C-N 122.23 -0.294 . . . . 0.0 111.16 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.05 -44.69 97.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.458 ' OE1' ' HB2' ' A' ' 13' ' ' TRP . 36.1 tt0 -59.18 -52.42 65.79 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.619 0.574 . . . . 0.0 110.604 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -66.14 -32.28 73.63 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -71.12 -31.61 67.97 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.684 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -81.05 -48.4 12.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.672 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -72.74 -46.98 50.71 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.399 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -103.05 -168.22 1.49 Allowed 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -177.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -114.7 24.17 12.04 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -93.74 116.3 28.78 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 121.172 0.51 . . . . 0.0 111.591 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.31 73.76 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.834 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -71.35 -13.25 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.229 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.77 9.85 Favored Glycine 0 N--CA 1.436 -1.362 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.87 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -163.47 161.28 33.97 Favored Glycine 0 N--CA 1.422 -2.246 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.63 162.17 35.74 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.3 m -90.68 128.13 36.54 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.591 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 41.6 t-80 -139.94 151.69 45.76 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -82.35 139.29 34.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.37 0.605 . . . . 0.0 110.803 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -151.96 164.7 36.6 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 58.7 t80 -67.65 130.37 93.13 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 59.6 Cg_endo -111.48 23.4 3.04 Favored 'Cis proline' 0 CA--C 1.555 1.569 0 C-N-CA 125.079 -0.8 . . . . 0.0 113.746 -1.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 t -159.98 164.64 33.14 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -174.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 50.0 t -68.92 117.32 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -116.27 167.36 11.09 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.3 129.16 36.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 85.3 m-85 -124.3 118.6 27.14 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.4 m -71.85 126.32 29.44 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 124.235 0.96 . . . . 0.0 108.988 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 26.6 mtpp -95.97 104.9 16.86 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -97.96 147.43 24.49 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HA ' HD23 ' A' ' 5' ' ' LEU . 63.3 tt0 -80.26 121.55 25.78 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 C--O 1.265 1.871 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.324 -179.327 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 CA--C 1.496 -1.121 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 47.9 mt -118.08 133.81 55.56 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.34 140.13 38.92 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.445 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -78.95 122.98 26.83 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 123.749 0.656 . . . . 0.0 111.236 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -118.1 116.93 35.56 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -48.84 132.83 27.13 Favored 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.16 2.574 . . . . 0.0 112.179 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -80.1 106.96 12.51 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.82 50.46 3.62 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.355 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 30' ' ' ARG . 7.8 p -152.33 -58.25 0.14 Allowed 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.493 1.117 . . . . 0.0 109.002 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -63.67 123.88 19.98 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.515 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 m -125.57 124.91 42.3 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.83 -154.18 16.76 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -83.22 139.95 32.82 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.088 0.555 . . . . 0.0 110.298 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 16.6 t -97.15 100.31 11.79 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.04 8.36 27.25 Favored Glycine 0 N--CA 1.438 -1.21 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.88 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -135.52 102.59 5.17 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -69.04 -31.81 70.87 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 m -70.29 -40.79 74.08 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.15 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -78.07 -32.9 50.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.409 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 31.1 t -57.72 -49.18 77.38 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.339 0.59 . . . . 0.0 110.005 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 13.5 p -68.22 -47.74 67.02 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.298 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -52.91 -52.28 58.25 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.289 0.635 . . . . 0.0 111.393 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.74 -40.18 96.4 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.378 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.207 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -67.73 -27.29 66.67 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.389 0.614 . . . . 0.0 110.185 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -83.64 -51.73 7.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.578 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 12' ' ' THR . 13.9 mmt85 -82.28 -44.9 15.69 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.047 0.451 . . . . 0.0 112.024 -174.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -99.36 -166.55 1.36 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -128.52 78.15 1.82 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.449 0.643 . . . . 0.0 109.705 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.26 114.64 14.01 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.628 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.63 81.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.274 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.89 -11.37 59.99 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.272 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.72 -110.21 3.08 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.968 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -172.84 179.57 44.22 Favored Glycine 0 N--CA 1.417 -2.58 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -176.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.9 164.86 37.7 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.7 m -92.41 121.76 34.2 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -138.67 148.81 44.46 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -79.79 133.75 36.32 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.271 0.557 . . . . 0.0 111.071 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -137.86 -76.4 0.39 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.401 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 62.1 t80 -175.07 137.45 0.56 Allowed Pre-proline 0 C--N 1.272 -2.773 0 CA-C-N 114.035 -1.439 . . . . 0.0 107.313 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 44.0 Cg_endo -93.94 8.95 53.66 Favored 'Cis proline' 0 CA--C 1.535 0.571 0 C-N-CA 124.072 -1.22 . . . . 0.0 111.057 -3.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -155.84 -179.3 8.0 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.7 t -61.88 121.33 9.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -119.5 164.18 16.18 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.12 121.07 31.08 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.94 128.51 50.37 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.97 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.9 m -75.71 143.03 42.31 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.39 112.26 24.9 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.239 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 13.4 ptm180 -98.96 148.56 23.86 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.302 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -76.3 119.56 20.35 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 123.867 0.729 . . . . 0.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 C--N 1.29 -2.011 0 CA-C-O 118.11 -0.948 . . . . 0.0 109.37 178.735 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 mptt . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 78.7 mt -103.77 134.79 46.49 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.664 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.4 131.54 50.4 Favored 'General case' 0 C--N 1.279 -2.464 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.92 103.13 9.6 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.57 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.66 117.16 67.48 Favored Pre-proline 0 C--N 1.304 -1.387 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.25 116.16 3.21 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.402 2.068 . . . . 0.0 111.295 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.445 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 40.3 t -70.13 119.25 14.05 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.76 -16.89 57.61 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.0 p -80.23 -27.76 38.69 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-O 121.386 0.613 . . . . 0.0 111.119 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -85.35 128.74 34.81 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -102.3 112.48 25.2 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.14 -141.05 21.23 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 114.687 0.635 . . . . 0.0 114.687 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 71.7 t60 -65.9 135.34 54.66 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.491 1.117 . . . . 0.0 112.297 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.39 103.0 14.87 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.13 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.85 24.03 20.23 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.002 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -157.41 106.8 2.16 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.663 0.268 . . . . 0.0 110.334 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 -39.68 95.04 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -67.79 -40.33 83.96 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.651 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -76.58 -31.25 57.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.981 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.4 t -62.05 -48.8 78.62 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.517 0.675 . . . . 0.0 109.545 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 9.7 p -67.42 -43.18 81.87 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.535 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.03 -42.82 95.23 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.123 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.19 -59.53 4.43 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.494 0.318 . . . . 0.0 111.723 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.4 m -73.07 -26.52 61.3 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -77.28 -31.0 54.57 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.246 0.546 . . . . 0.0 110.62 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -84.68 -41.4 16.32 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -76.85 -54.71 6.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.175 0.512 . . . . 0.0 111.339 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -107.13 -164.2 0.97 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -112.0 38.47 2.66 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.231 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 33.7 m-85 -78.34 102.75 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.1 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.957 0.408 . . . . 0.0 111.847 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -89.55 -9.34 50.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.037 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.11 -89.99 0.34 Allowed Glycine 0 N--CA 1.429 -1.819 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.58 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . 172.99 174.89 40.43 Favored Glycine 0 N--CA 1.417 -2.577 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . . . -146.28 162.21 38.61 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -82.46 111.0 18.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.62 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.4 t-160 -113.98 144.8 42.49 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 64.6 t80 -73.62 137.3 44.12 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.501 0.667 . . . . 0.0 111.188 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.89 159.49 42.07 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 63.5 t80 -80.43 132.02 60.03 Favored Pre-proline 0 C--N 1.296 -1.758 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.862 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 86.5 Cg_endo -105.12 15.04 10.52 Favored 'Cis proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.882 -0.882 . . . . 0.0 111.76 -4.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -138.77 148.16 43.51 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 122.125 -0.359 . . . . 0.0 111.094 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' HIS . 98.3 t -61.62 125.36 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.384 -0.825 . . . . 0.0 108.832 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 10' ' ' SER . 84.8 tttt -123.74 164.97 18.08 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.25 125.55 30.45 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.62 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 36.5 m-85 -121.96 116.15 23.82 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.7 m -81.19 116.2 20.97 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 68.2 mttm -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.438 -174.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -98.93 155.58 17.33 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.996 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.74 123.56 26.84 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.286 -2.182 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.957 176.225 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.3 mptt . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.6 mt -124.19 150.96 44.61 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 m -118.33 143.94 46.24 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -85.1 109.7 18.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 123.621 0.576 . . . . 0.0 111.091 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.41 117.05 59.17 Favored Pre-proline 0 C--N 1.294 -1.81 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.63 112.3 1.57 Allowed 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.114 1.876 . . . . 0.0 111.574 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -70.74 113.18 7.57 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.505 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.0 78.34 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.74 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -77.69 -11.0 59.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 121.175 0.512 . . . . 0.0 110.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -106.91 106.88 17.63 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.0 t -112.36 138.55 48.93 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.81 -167.25 14.45 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -80.07 142.15 35.17 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 122.44 0.296 . . . . 0.0 110.237 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 32.7 t -103.77 102.95 12.78 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.2 -1.57 20.41 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.015 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -127.6 104.13 7.71 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 122.392 -0.476 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 p -63.56 -35.25 79.88 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -66.16 -36.58 83.48 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.649 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -79.99 -33.38 39.45 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.394 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 26.1 t -57.57 -50.65 72.41 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -66.41 -44.82 81.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.868 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -54.53 -57.15 12.5 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 123.15 0.58 . . . . 0.0 111.822 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.73 -39.85 93.01 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.38 0.425 . . . . 0.0 111.163 -176.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.67 -40.81 88.75 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.022 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 56.7 mtmt -74.58 -23.69 58.79 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.417 0.627 . . . . 0.0 110.914 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.46 -46.72 30.83 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.365 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -84.52 -54.91 4.43 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.244 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.92 -179.74 4.03 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.261 0.553 . . . . 0.0 110.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -107.37 80.22 1.39 Allowed 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.606 0.717 . . . . 0.0 111.71 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 64.3 m-85 -116.26 106.14 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.588 176.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.23 69.09 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.348 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -97.75 -0.26 45.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.412 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.46 -118.74 11.29 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.947 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.98 174.03 44.11 Favored Glycine 0 N--CA 1.416 -2.655 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.83 161.21 43.03 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.41 128.92 34.71 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.641 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 34.0 t60 -137.08 148.27 46.63 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 80.2 t80 -74.5 133.9 42.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 122.272 1.034 . . . . 0.0 113.59 -176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -147.07 145.04 29.51 Favored 'General case' 0 N--CA 1.412 -2.358 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 63.2 t80 -69.1 139.36 90.19 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 73.6 Cg_endo -98.12 -0.45 29.76 Favored 'Cis proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.177 -1.176 . . . . 0.0 113.886 0.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 p -144.38 140.01 28.79 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 119.574 -0.251 . . . . 0.0 110.731 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 90.2 t -47.34 124.24 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.341 1.026 . . . . 0.0 110.464 176.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -115.4 168.73 9.73 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -173.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -85.59 125.1 32.86 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 55.1 m-85 -119.13 109.72 16.22 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-O 121.122 0.487 . . . . 0.0 111.017 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -67.4 140.03 57.16 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.046 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 5' ' ' LEU . 45.4 mmtm -101.56 113.41 26.52 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm85 -100.18 147.38 25.77 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.553 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -72.47 123.77 23.8 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.5 m . . . . . 0 C--N 1.283 -2.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm . . . . . 0 N--CA 1.432 -1.347 0 CA-C-O 121.438 0.637 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.45 133.23 44.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.183 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.98 128.26 38.78 Favored 'General case' 0 C--N 1.262 -3.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.175 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -89.54 127.0 35.82 Favored 'General case' 0 CA--C 1.481 -1.691 0 O-C-N 124.282 0.989 . . . . 0.0 109.75 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -121.38 140.36 31.26 Favored Pre-proline 0 C--N 1.282 -2.368 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -59.5 123.17 12.79 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.013 1.809 . . . . 0.0 109.462 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -64.76 112.0 3.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 121.116 0.484 . . . . 0.0 110.453 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.04 -1.73 88.0 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.819 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -108.56 -18.58 13.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -89.23 141.21 28.73 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -115.63 106.29 13.74 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.958 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.28 -144.65 18.05 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 115.478 0.951 . . . . 0.0 115.478 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.12 137.15 56.84 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 124.953 1.301 . . . . 0.0 111.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 t -100.57 100.69 11.46 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.27 13.43 18.93 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -136.91 94.05 2.92 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 m -64.12 -50.13 69.48 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.926 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -65.59 -35.17 80.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.953 0.406 . . . . 0.0 110.44 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -66.11 -43.83 86.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.252 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.5 t -57.14 -45.01 83.93 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 123.707 0.629 . . . . 0.0 109.978 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.451 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 14.8 m -60.05 -54.63 43.7 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.797 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -68.06 -44.67 75.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.2 m -65.39 -40.24 93.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.675 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -70.67 -23.31 62.48 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.642 0.734 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.11 -50.44 16.36 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.418 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -67.37 -57.55 6.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 41.2 mt-10 -120.82 176.45 5.53 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -86.82 76.65 9.42 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.956 0.884 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 79.1 m-85 -99.28 105.38 17.38 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.403 174.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -26.2 66.42 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 123.572 0.545 . . . . 0.0 112.244 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.03 10.86 17.58 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.084 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.62 -101.75 0.49 Allowed Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.307 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -175.73 168.01 40.13 Favored Glycine 0 N--CA 1.422 -2.251 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.75 156.37 45.59 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 117.145 0.473 . . . . 0.0 109.906 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.6 m -76.8 119.93 21.26 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 30.8 t-80 -131.13 127.16 37.52 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.379 0.609 . . . . 0.0 110.747 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.8 t80 -85.91 115.7 23.69 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -130.98 -69.28 0.64 Allowed 'General case' 0 C--N 1.287 -2.11 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.183 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 72.4 t80 -165.1 130.98 2.08 Favored Pre-proline 0 C--N 1.267 -2.996 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.396 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 27.7 Cg_endo -97.71 7.76 35.4 Favored 'Cis proline' 0 CA--C 1.534 0.518 0 C-N-CA 124.693 -0.961 . . . . 0.0 110.374 -5.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.8 m -150.95 -179.39 7.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.7 p -86.88 115.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.968 0.89 . . . . 0.0 110.855 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -122.05 165.04 16.66 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.116 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 t -78.24 125.14 28.93 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 64.1 m-85 -119.53 115.26 23.67 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.0 m -75.1 140.48 43.47 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -116.94 114.63 24.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -110.7 148.07 33.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.102 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.81 132.4 45.25 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.302 -1.49 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.358 174.41 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.243 0.747 0 CA-C-O 120.854 0.359 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 53' ' ' GLN . 68.0 mt -125.9 143.24 51.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.0 m -110.79 129.97 55.7 Favored 'General case' 0 C--N 1.279 -2.484 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -88.66 107.41 18.92 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 30.6 m -102.35 134.83 19.76 Favored Pre-proline 0 C--N 1.306 -1.299 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.633 -177.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 21.9 Cg_exo -61.96 119.6 6.79 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.472 2.115 . . . . 0.0 112.067 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 m -79.01 113.41 17.11 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.903 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 -17.34 79.32 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 111.828 -0.509 . . . . 0.0 111.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -72.33 -22.62 61.15 Favored 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.025 0.93 . . . . 0.0 110.947 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -98.24 135.94 39.15 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -133.5 122.15 23.21 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -169.48 12.95 Favored Glycine 0 N--CA 1.421 -2.352 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.353 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -71.55 136.24 47.39 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 123.389 0.676 . . . . 0.0 110.775 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.8 t -90.23 99.88 12.81 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.17 -38.68 3.98 Favored Glycine 0 N--CA 1.427 -1.953 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.544 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.4 t -106.52 109.42 21.33 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 120.883 0.373 . . . . 0.0 110.059 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -64.62 -31.9 73.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.675 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 t -67.19 -40.7 86.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.486 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -72.38 -33.19 67.03 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.359 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.54 -47.43 85.58 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 123.318 0.386 . . . . 0.0 110.025 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 m -61.73 -48.9 78.63 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.848 0.356 . . . . 0.0 110.264 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.12 -43.58 91.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -58.32 -48.83 79.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.65 -44.23 96.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.617 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.66 -21.9 61.01 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.0 0.429 . . . . 0.0 111.6 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -85.7 -49.58 7.86 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.7 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 26' ' ' GLN . 10.1 mpt_? -78.02 -49.54 13.82 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -178.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.49 -165.64 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -128.54 90.09 3.0 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.27 108.89 7.45 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.6 67.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.501 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 96.9 m-85 -88.82 3.16 52.09 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -127.2 36.24 Favored Glycine 0 N--CA 1.437 -1.288 0 CA-C-N 115.681 -0.691 . . . . 0.0 113.151 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.78 163.55 37.12 Favored Glycine 0 N--CA 1.412 -2.957 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.21 162.1 36.51 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.95 115.29 16.61 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 18.1 t60 -120.86 132.09 54.79 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 59.2 t80 -66.06 132.65 49.02 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 121.643 0.735 . . . . 0.0 111.907 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -135.64 159.29 42.09 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 88.5 t80 -80.26 131.84 61.13 Favored Pre-proline 0 C--N 1.291 -1.968 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.509 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 43.9 Cg_endo -104.04 15.91 13.07 Favored 'Cis proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.829 -0.904 . . . . 0.0 112.601 -2.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 p -143.68 142.61 31.07 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.639 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.9 p -66.93 126.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.578 0.704 . . . . 0.0 110.975 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -124.05 165.89 16.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.333 -172.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.4 t -76.2 126.59 31.28 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 122.817 0.447 . . . . 0.0 110.038 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 10.4 m-85 -125.48 121.04 32.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.151 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.9 m -71.51 137.36 48.08 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 26.7 mtpp -96.7 103.43 15.35 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -93.99 149.38 21.28 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HA ' HD23 ' A' ' 5' ' ' LEU . 43.8 tt0 -82.32 122.1 27.53 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.9 m . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.72 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp . . . . . 0 N--CA 1.428 -1.563 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 58.4 mt -103.42 136.12 43.77 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.55 130.62 46.64 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.416 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.61 105.06 11.57 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.07 122.84 41.75 Favored Pre-proline 0 C--N 1.304 -1.41 0 C-N-CA 123.437 0.695 . . . . 0.0 109.81 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.74 114.08 1.84 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.486 2.124 . . . . 0.0 111.194 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -61.27 133.2 55.64 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 123.704 0.802 . . . . 0.0 110.806 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.2 -30.92 58.13 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.9 t -66.38 -30.25 70.59 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.464 ' HB3' ' HB3' ' A' ' 48' ' ' CYS . 5.4 t-105 -107.48 110.32 22.23 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.766 -173.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -109.68 131.86 54.67 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -168.38 14.59 Favored Glycine 0 N--CA 1.436 -1.331 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.481 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -65.54 137.41 57.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.387 0.675 . . . . 0.0 111.18 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 31.4 t -116.65 111.54 19.99 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.14 31.68 3.12 Favored Glycine 0 N--CA 1.438 -1.212 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -149.19 94.67 2.26 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -58.58 -51.14 71.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.831 0.852 . . . . 0.0 113.019 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -69.92 -32.23 70.4 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.156 -0.34 . . . . 0.0 111.296 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.22 -42.28 80.05 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.9 t -56.22 -50.91 69.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.377 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.15 -49.13 79.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.754 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -64.16 -44.23 92.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.0 -38.16 82.29 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.98 -56.31 23.28 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.351 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.4 -27.18 68.91 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.494 0.496 . . . . 0.0 112.264 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.82 -53.29 9.4 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -79.25 -59.69 2.66 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.93 175.11 8.8 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -120.04 86.29 2.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.78 -0.575 . . . . 0.0 109.61 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -129.1 99.05 5.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.595 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.25 -13.28 57.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.644 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 94.3 m-85 -87.37 -4.62 59.04 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -159.99 43.7 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.73 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.86 168.57 29.98 Favored Glycine 0 N--CA 1.427 -1.931 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.42 161.76 41.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.2 m -81.98 124.34 29.68 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 t-80 -127.59 132.5 49.81 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 12.2 t80 -90.21 115.11 27.19 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 58.8 tt0 -125.72 172.27 9.94 Favored 'General case' 0 C--N 1.268 -2.95 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.501 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 91.2 t80 -68.13 127.34 93.29 Favored Pre-proline 0 C--N 1.278 -2.5 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 71.9 Cg_endo -103.84 2.65 12.9 Favored 'Cis proline' 0 CA--C 1.557 1.63 0 N-CA-C 114.906 1.079 . . . . 0.0 114.906 -0.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 p -145.35 169.62 17.92 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 4.8 p -89.43 117.64 33.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 122.148 0.975 . . . . 0.0 110.907 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -124.48 -179.64 4.56 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 44.8 t -87.73 126.47 35.0 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 23.4 m-85 -123.15 118.76 28.41 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 120.966 0.412 . . . . 0.0 110.341 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -80.39 150.03 29.97 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.412 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 61.8 mttp -98.16 111.1 23.55 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -101.01 160.92 13.97 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.556 -0.857 . . . . 0.0 108.912 174.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 131.96 34.21 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--N 1.294 -1.809 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.549 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.444 -0.729 0 CA-C-O 121.468 0.652 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 mt -112.31 124.48 52.57 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.3 m -99.05 132.66 44.2 Favored 'General case' 0 C--N 1.254 -3.569 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.569 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 23.5 m-20 -83.3 117.86 23.27 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.295 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.8 109.75 55.1 Favored Pre-proline 0 C--N 1.296 -1.758 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.04 130.74 26.58 Favored 'Trans proline' 0 C--N 1.332 -0.331 0 C-N-CA 122.204 1.936 . . . . 0.0 113.207 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 m -72.8 122.51 21.68 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.33 -35.19 15.07 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 t -62.26 -36.75 82.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.739 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -72.67 108.58 5.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 p -104.62 107.99 19.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.007 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.39 -168.85 18.41 Favored Glycine 0 N--CA 1.42 -2.381 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.799 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -70.5 150.11 46.49 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 124.194 0.997 . . . . 0.0 111.528 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.9 t -108.49 111.37 23.2 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.55 32.13 3.12 Favored Glycine 0 N--CA 1.431 -1.694 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m -152.39 104.94 2.97 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 m -67.17 -52.48 40.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.4 m -63.52 -40.11 96.2 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.402 0.144 . . . . 0.0 111.303 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.3 -36.59 84.61 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.57 -44.81 85.59 Favored 'General case' 0 C--O 1.251 1.142 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.9 m -59.34 -53.35 59.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.135 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -63.29 -39.65 95.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.679 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.1 tm0? -61.3 -52.49 64.47 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 122.577 0.351 . . . . 0.0 111.215 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.15 -28.45 54.18 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.399 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.86 -27.07 61.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.056 0.455 . . . . 0.0 109.905 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.84 -49.4 18.1 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.842 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 13.4 mmm180 -66.22 -55.8 14.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.519 -177.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -116.37 -172.16 2.13 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.998 0.427 . . . . 0.0 110.323 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -103.69 91.0 3.83 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -128.96 109.24 11.07 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.771 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.36 64.64 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.824 -176.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.11 8.61 38.68 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.86 -106.27 1.05 Allowed Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.226 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.93 167.45 35.99 Favored Glycine 0 N--CA 1.42 -2.392 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . . . -149.18 175.39 11.42 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.68 123.94 28.6 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.8 t60 -134.11 149.24 51.08 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 77.6 t80 -90.39 134.06 34.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.257 1.027 . . . . 0.0 112.786 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -151.27 155.28 38.44 Favored 'General case' 0 C--N 1.275 -2.632 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 168.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 85.8 t80 -61.49 140.38 94.89 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 69.7 Cg_endo -94.06 -6.16 35.88 Favored 'Cis proline' 0 CA--C 1.539 0.732 0 N-CA-C 115.799 1.423 . . . . 0.0 115.799 4.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -160.17 162.04 33.77 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 64.0 t -58.62 116.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 O-C-N 123.96 0.788 . . . . 0.0 108.928 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -123.45 172.1 8.97 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.9 t -74.91 121.37 21.78 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.32 0.648 . . . . 0.0 109.647 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 m-85 -120.47 122.77 41.39 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.687 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -75.45 136.59 40.68 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.546 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HE2' ' HB3' ' A' ' 38' ' ' ALA . 68.4 mttm -106.85 107.34 18.32 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.854 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 10.6 ptm180 -104.02 158.14 16.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.817 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -78.58 121.47 24.67 Favored 'General case' 0 N--CA 1.419 -2.005 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.276 -2.621 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.426 178.101 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 N--CA 1.436 -1.173 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 61.1 mt -118.14 139.33 51.42 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.936 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -107.17 131.9 53.63 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.67 115.88 26.52 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.56 144.77 34.84 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.96 123.89 14.73 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.561 2.174 . . . . 0.0 111.512 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t -80.9 131.8 35.38 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.81 -27.28 35.2 Favored Glycine 0 N--CA 1.434 -1.471 0 C-N-CA 120.164 -1.017 . . . . 0.0 110.613 176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.5 p -69.0 -29.24 67.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.108 0.48 . . . . 0.0 112.127 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -110.65 117.08 32.53 Favored 'General case' 0 N--CA 1.427 -1.616 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.358 -175.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -114.73 151.3 33.94 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.68 -155.08 30.23 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.68 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -76.29 132.99 40.15 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.247 0.546 . . . . 0.0 111.063 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.99 101.25 13.58 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.65 -50.31 0.91 Allowed Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.706 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -85.18 91.42 8.13 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-O 121.331 0.586 . . . . 0.0 110.064 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -60.95 -50.96 71.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.545 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.72 -31.95 72.93 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.87 0.366 . . . . 0.0 110.312 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.08 -38.39 75.7 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.35 -36.43 81.39 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.547 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.589 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.2 m -59.42 -51.56 69.37 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -60.28 -49.39 77.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.626 0.579 . . . . 0.0 110.356 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.88 -51.75 65.0 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.638 0.775 . . . . 0.0 111.777 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 44.1 t -69.22 -34.99 75.71 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.1 -29.73 66.77 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.704 0.764 . . . . 0.0 110.21 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.51 -50.92 8.82 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.265 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -87.09 -35.99 18.38 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -174.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 41.8 mm-40 -101.48 -173.0 2.26 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.887 0.375 . . . . 0.0 110.136 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -109.34 56.43 0.62 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 52' ' ' ARG . 78.3 m-85 -131.96 103.17 6.15 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.79 68.11 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 123.405 0.682 . . . . 0.0 112.771 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -90.77 -4.3 56.77 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 121.046 0.45 . . . . 0.0 111.379 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.3 -122.0 10.66 Favored Glycine 0 N--CA 1.422 -2.245 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.589 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.84 171.23 35.44 Favored Glycine 0 N--CA 1.415 -2.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 167.76 21.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.4 m -88.6 130.5 35.25 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.0 t-80 -143.97 135.38 25.83 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 67.7 t80 -77.09 132.47 38.89 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.378 0.608 . . . . 0.0 111.209 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -142.98 139.89 30.82 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 87.3 t80 -54.59 129.3 62.75 Favored Pre-proline 0 C--N 1.308 -1.198 0 CA-C-N 118.566 0.621 . . . . 0.0 110.611 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 43.1 Cg_endo -108.65 23.07 5.88 Favored 'Cis proline' 0 CA--C 1.553 1.446 0 N-CA-C 115.138 1.168 . . . . 0.0 115.138 2.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 p -151.02 161.88 41.89 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 96.1 t -72.1 104.35 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 174.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -106.1 165.26 11.35 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.6 131.15 45.79 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 41.2 m-85 -117.57 125.08 50.17 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.736 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.433 ' HA ' ' CA ' ' A' ' 37' ' ' GLY . 99.3 m -77.84 133.84 38.1 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -99.05 105.91 18.08 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.4 ptm180 -94.48 154.38 17.45 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.66 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.45 125.53 27.06 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.819 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.3 -1.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.081 176.365 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 N--CA 1.439 -1.024 0 CA-C-O 120.954 0.406 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt -113.85 136.15 53.19 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.751 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.2 m -107.08 150.49 26.49 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.276 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.45 120.88 31.93 Favored 'General case' 0 CA--C 1.498 -1.045 0 O-C-N 123.398 0.436 . . . . 0.0 110.294 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.44 136.48 27.2 Favored Pre-proline 0 C--N 1.3 -1.56 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.391 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -65.05 126.88 17.28 Favored 'Trans proline' 0 C--O 1.242 0.722 0 C-N-CA 122.213 1.942 . . . . 0.0 111.423 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' OG ' ' HB3' ' A' ' 13' ' ' TRP . 23.7 p -70.48 140.69 51.97 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.532 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.28 -35.53 6.6 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.23 -23.32 51.34 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.411 ' HB3' ' OG ' ' A' ' 10' ' ' SER . 13.9 t-105 -86.44 124.81 33.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -127.7 140.29 52.17 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.72 -149.66 16.64 Favored Glycine 0 N--CA 1.426 -1.971 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -93.28 143.6 26.11 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.751 0.82 . . . . 0.0 109.086 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.27 100.88 12.6 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.98 23.09 8.35 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 t -148.79 106.07 3.63 Favored 'General case' 0 N--CA 1.419 -1.994 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -71.66 -31.06 66.41 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.633 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 p -80.01 -41.33 26.02 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.081 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.65 -26.78 60.92 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.27 -51.62 69.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 173.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m -59.28 -51.75 68.6 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-O 121.108 0.48 . . . . 0.0 110.645 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.71 -55.46 34.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.868 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.4 -37.65 88.09 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.585 0.231 . . . . 0.0 110.497 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.6 t -54.92 -60.96 2.66 Favored 'General case' 0 C--O 1.299 3.691 0 C-N-CA 123.367 0.667 . . . . 0.0 110.804 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 48.0 mtmt -62.33 -50.58 71.06 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.728 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.27 -46.35 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.187 0.929 . . . . 0.0 112.337 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -70.17 -67.21 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -177.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -171.47 22.6 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 117.636 -1.625 . . . . 0.0 114.518 -170.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 70.7 m80 -106.52 -112.92 0.27 Allowed 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.374 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 73.1 m-85 -133.87 153.75 51.53 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.043 -171.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -14.53 61.36 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.501 1.12 . . . . 0.0 112.032 -177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 90.7 m-85 -85.55 -1.58 57.25 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.956 0.408 . . . . 0.0 111.055 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.75 -146.35 38.34 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.107 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.41 169.21 41.84 Favored Glycine 0 N--CA 1.414 -2.778 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.97 27.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.3 m -78.4 119.78 22.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 49.0 t-80 -129.52 129.95 45.17 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 49.5 t80 -68.87 140.88 55.19 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.603 0.716 . . . . 0.0 112.43 -176.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -154.07 151.44 29.31 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 75.7 t80 -64.51 137.66 97.2 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 75.0 Cg_endo -101.8 7.81 18.09 Favored 'Cis proline' 0 CA--C 1.553 1.45 0 C-N-CA 124.42 -1.075 . . . . 0.0 114.04 0.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -160.11 152.13 20.39 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.592 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.2 p -58.51 127.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 O-C-N 123.896 0.747 . . . . 0.0 111.518 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -113.43 164.79 13.15 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.461 -173.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.42 113.55 20.25 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.7 m-85 -107.87 119.69 40.16 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.23 0.538 . . . . 0.0 109.876 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.1 m -85.17 149.01 25.82 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.112 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 48.7 mmtm -95.0 107.24 19.28 Favored 'General case' 0 N--CA 1.421 -1.902 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.246 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 10.4 ptm180 -95.52 155.94 16.53 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.0 131.97 34.4 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.5 m . . . . . 0 C--N 1.283 -2.284 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.704 177.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 11.1 mptt . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 121.282 0.563 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 48.3 mt -103.63 132.4 49.91 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.4 m -104.02 128.6 51.61 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.02 118.66 19.02 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.08 125.94 29.32 Favored Pre-proline 0 C--N 1.31 -1.139 0 C-N-CA 124.328 1.051 . . . . 0.0 109.449 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.38 125.43 15.05 Favored 'Trans proline' 0 C--O 1.245 0.849 0 C-N-CA 122.124 1.882 . . . . 0.0 111.499 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -81.14 108.1 14.5 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.67 -13.39 71.56 Favored Glycine 0 C--O 1.239 0.431 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.967 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.9 p -81.92 -14.17 56.5 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.001 0.429 . . . . 0.0 111.32 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -93.68 140.3 29.8 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -135.03 141.0 46.07 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.24 -157.93 25.25 Favored Glycine 0 N--CA 1.428 -1.87 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.208 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -83.54 123.71 30.02 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 123.367 0.667 . . . . 0.0 110.226 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.18 102.13 12.37 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.55 16.07 19.45 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -146.47 104.79 3.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 23' ' ' CYS . 50.7 m -77.25 -22.24 52.46 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.069 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.5 p -71.91 -41.14 68.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.127 0.489 . . . . 0.0 110.057 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -71.35 -35.98 71.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 29.3 t -56.69 -55.96 27.44 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.786 0.678 . . . . 0.0 110.05 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 8.5 p -60.33 -46.74 88.84 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.21 -43.55 97.81 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 32.9 tt0 -64.61 -45.9 84.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 t -53.83 -53.14 56.63 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.282 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -63.66 -34.43 77.83 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.144 0.578 . . . . 0.0 111.625 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.39 -35.44 63.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.108 0.48 . . . . 0.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 4.8 mmp_? -69.25 -54.14 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.111 176.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -139.73 150.43 44.81 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 75.9 10.11 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -92.46 108.23 19.81 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.193 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.58 70.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 123.45 0.7 . . . . 0.0 111.539 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.58 1.98 56.52 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.088 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -135.93 41.47 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 116.238 -0.437 . . . . 0.0 113.215 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -168.26 167.18 40.04 Favored Glycine 0 N--CA 1.422 -2.235 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.29 168.12 23.38 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.78 135.85 38.98 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.606 0.241 . . . . 0.0 110.526 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.623 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 19.4 t60 -144.39 140.5 29.07 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.518 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 3.4 t80 -89.21 114.97 26.35 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -114.38 -88.76 0.56 Allowed 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.982 173.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 86.7 t80 -159.0 130.22 3.85 Favored Pre-proline 0 C--N 1.278 -2.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.995 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 88.3 Cg_endo -96.28 1.01 40.16 Favored 'Cis proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.977 -1.26 . . . . 0.0 111.609 -3.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -134.56 179.9 6.0 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 -173.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 39.5 t -75.15 117.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.42 167.65 11.73 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -81.43 124.66 29.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.623 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 29.6 m-85 -122.77 117.58 26.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.995 0.426 . . . . 0.0 111.433 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.34 143.5 33.51 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.41 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 92.7 mttt -99.75 100.93 11.95 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 16.4 ptm180 -84.09 143.65 29.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.174 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 5' ' ' LEU . 9.0 tt0 -83.15 95.41 8.09 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.115 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.1 m . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.272 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 mt -110.78 142.12 43.18 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.676 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 m -107.51 133.29 52.2 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 11.3 m-20 -83.57 110.62 18.39 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.222 0.535 . . . . 0.0 110.644 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.11 125.33 44.16 Favored Pre-proline 0 C--N 1.295 -1.761 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.8 112.58 1.53 Allowed 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.882 1.722 . . . . 0.0 109.927 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.9 m -67.52 108.84 2.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.286 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.96 -16.87 75.03 Favored Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 p -68.36 -40.42 81.49 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 114.463 -0.868 . . . . 0.0 110.004 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -98.7 99.43 10.54 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.597 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -107.57 109.34 20.96 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.87 -167.84 24.97 Favored Glycine 0 N--CA 1.427 -1.911 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -74.51 130.37 39.47 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 123.911 0.418 . . . . 0.0 110.244 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.67 97.15 8.78 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.0 -33.64 2.75 Favored Glycine 0 C--N 1.294 -1.782 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 m -85.66 93.77 8.92 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 114.937 -0.631 . . . . 0.0 109.926 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -65.85 -48.4 71.73 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.339 -0.846 . . . . 0.0 113.022 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -66.31 -35.81 81.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 120.958 0.409 . . . . 0.0 110.159 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -64.86 -44.0 91.16 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.638 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.38 -48.45 74.28 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.356 0.662 . . . . 0.0 110.473 174.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.476 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.9 m -59.21 -52.88 63.76 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.92 -43.91 74.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -61.57 -45.05 95.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.1 -46.18 91.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.266 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -71.46 -22.87 61.76 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.041 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.04 -44.06 10.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.983 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -75.32 -47.39 27.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.047 0.451 . . . . 0.0 110.611 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -107.17 179.89 4.13 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -120.82 87.39 2.74 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.366 -1.734 . . . . 0.0 111.625 177.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.43 118.04 28.39 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.59 74.33 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.2 0.524 . . . . 0.0 111.836 -173.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -90.54 5.37 48.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.777 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 57.97 -126.96 43.86 Favored Glycine 0 N--CA 1.429 -1.824 0 CA-C-N 114.629 -1.169 . . . . 0.0 112.228 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.476 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -153.55 170.52 32.34 Favored Glycine 0 N--CA 1.407 -3.284 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.03 163.32 38.45 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.23 135.03 36.66 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.677 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.7 t60 -142.64 141.53 31.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -177.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -91.95 128.9 37.96 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.306 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -139.68 145.81 38.86 Favored 'General case' 0 C--N 1.279 -2.457 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 83.4 t80 -52.24 127.79 39.11 Favored Pre-proline 0 C--N 1.31 -1.137 0 CA-C-N 118.001 0.364 . . . . 0.0 110.589 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 56.2 Cg_endo -115.56 33.64 0.9 Allowed 'Cis proline' 0 CA--C 1.553 1.431 0 CA-C-N 118.912 0.647 . . . . 0.0 112.88 -2.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -150.12 153.22 36.01 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.157 -0.964 . . . . 0.0 112.612 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.8 106.5 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -114.91 167.47 10.76 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -84.52 130.57 34.73 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.677 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 51.6 m-85 -125.2 115.48 20.48 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.58 133.44 45.75 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.679 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -98.44 105.56 17.72 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.255 0.55 . . . . 0.0 111.29 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -89.36 149.7 22.89 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.468 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -80.92 113.8 19.37 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.367 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 51.3 mt -118.27 150.04 40.13 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.111 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.2 m -116.84 145.3 43.64 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -89.53 130.2 35.89 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.1 132.51 24.39 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.01 125.02 13.45 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 121.741 1.628 . . . . 0.0 111.056 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 t -84.17 114.28 21.68 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -19.27 78.6 Favored Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.769 -175.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -96.77 20.01 11.62 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 23' ' ' CYS . 61.7 t-105 -95.14 139.76 31.02 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -90.64 99.96 12.9 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.442 0.639 . . . . 0.0 111.937 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.85 -125.18 27.55 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -75.41 137.49 41.05 Favored 'General case' 0 C--N 1.313 -0.978 0 C-N-CA 124.158 0.983 . . . . 0.0 111.843 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 34.9 t -100.25 109.87 22.11 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.65 5.65 26.16 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.484 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -154.0 109.58 3.2 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -62.37 -29.39 70.44 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 m -74.8 -30.44 61.42 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.549 0.214 . . . . 0.0 110.86 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -70.31 -38.13 74.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 32.3 t -57.55 -54.0 51.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.11 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.2 p -60.15 -48.22 82.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -57.35 -50.73 72.02 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.542 0.527 . . . . 0.0 110.172 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.55 -42.96 81.81 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.127 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.679 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 43.7 t -55.13 -46.34 75.62 Favored 'General case' 0 C--O 1.277 2.518 0 C-N-CA 122.705 0.402 . . . . 0.0 111.121 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -64.15 -45.96 86.18 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.284 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.11 -35.42 78.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.545 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -69.9 -80.78 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.5 20.15 0.02 OUTLIER 'General case' 0 C--O 1.247 0.933 0 C-N-CA 118.106 -1.438 . . . . 0.0 114.146 -166.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.679 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 89.3 m-70 -117.05 -97.82 0.46 Allowed 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.5 m-85 -141.91 156.38 45.5 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -167.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.36 -14.23 62.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 123.197 0.599 . . . . 0.0 111.188 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -75.72 -18.07 59.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.0 -132.55 17.23 Favored Glycine 0 N--CA 1.428 -1.867 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.081 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 51' ' ' LYS . . . -168.12 -179.4 40.59 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.09 160.88 39.15 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -83.39 113.78 20.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 120.683 0.278 . . . . 0.0 110.504 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.669 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 63.1 t60 -119.72 138.87 53.04 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 114.54 12.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.289 0.566 . . . . 0.0 110.415 -175.097 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -109.32 152.78 24.82 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 68.2 t80 -88.29 130.51 45.62 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 79.8 Cg_endo -93.58 -6.92 35.96 Favored 'Cis proline' 0 CA--C 1.549 1.236 0 C-N-CA 123.84 -1.317 . . . . 0.0 115.018 2.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.2 p -129.87 143.35 50.76 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 45.5 t -52.75 126.23 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.358 1.063 . . . . 0.0 110.397 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.44 159.77 23.62 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.77 115.49 18.49 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 24.5 m-85 -106.76 110.48 22.67 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.3 m -74.71 149.14 39.96 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.253 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 32.3 mtpt -108.93 109.46 20.55 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.126 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ptm180 -87.75 153.22 21.52 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -78.9 125.93 30.02 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--N 1.292 -1.9 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm . . . . . 0 N--CA 1.427 -1.598 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 51' ' ' LYS . 49.8 mt -112.27 160.21 17.87 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 m -126.04 142.94 51.3 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.83 122.19 28.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.066 0.46 . . . . 0.0 110.93 -177.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 50' ' ' CYS . 58.6 t -110.8 110.89 57.0 Favored Pre-proline 0 C--N 1.295 -1.789 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.13 118.75 5.65 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.059 1.839 . . . . 0.0 111.468 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -69.21 111.46 5.16 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.674 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.42 72.4 Favored Glycine 0 C--N 1.322 -0.21 0 O-C-N 123.25 0.344 . . . . 0.0 113.004 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -75.83 -21.07 57.64 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.457 ' HB2' HE22 ' A' ' 26' ' ' GLN . 2.1 t-105 -105.7 112.19 25.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -123.19 152.73 40.93 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.97 -109.18 2.99 Favored Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.825 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -131.31 130.26 42.53 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.36 99.23 11.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.11 38.47 2.75 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.573 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -153.05 96.71 2.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -61.12 -45.58 94.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.167 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 t -67.24 -40.03 86.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.025 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.61 -28.36 62.72 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.099 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.3 t -66.92 -44.44 80.69 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.2 m -61.38 -47.84 83.97 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.479 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.77 -50.35 68.68 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 123.954 0.902 . . . . 0.0 111.042 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.457 HE22 ' HB2' ' A' ' 13' ' ' TRP . 6.5 tt0 -57.19 -46.23 83.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.104 0.478 . . . . 0.0 110.741 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -65.93 -37.45 86.09 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.241 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -76.18 -21.72 56.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.532 . . . . 0.0 110.507 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.11 -54.16 5.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.218 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -75.3 -50.86 14.73 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.588 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -106.22 -170.63 1.76 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -128.74 87.55 2.59 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -128.61 115.61 18.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.64 -13.88 62.53 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.387 0.613 . . . . 0.0 111.133 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.25 -9.2 55.69 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.4 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.25 -127.4 14.45 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.121 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.73 158.73 28.02 Favored Glycine 0 N--CA 1.423 -2.233 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 -177.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.2 155.25 47.94 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 117.666 0.733 . . . . 0.0 110.668 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.8 m -73.02 113.14 9.71 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -128.62 128.15 43.63 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.351 -172.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.625 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 t80 -86.14 84.97 7.36 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -99.9 -70.1 0.74 Allowed 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.687 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 35.9 t80 -163.76 133.61 3.15 Favored Pre-proline 0 C--N 1.257 -3.446 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.371 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 6.2 Cg_endo -96.74 1.11 38.01 Favored 'Cis proline' 0 C--O 1.244 0.79 0 C-N-CA 124.778 -0.926 . . . . 0.0 110.617 -6.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -145.91 -179.99 7.08 Favored 'General case' 0 C--O 1.253 1.245 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.9 p -83.36 103.92 11.25 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.832 1.301 . . . . 0.0 110.086 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -118.65 171.05 8.46 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 113.417 -1.72 . . . . 0.0 107.362 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.85 124.99 29.55 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.6 115.47 20.87 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.89 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 57.1 m -73.25 146.85 45.13 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.173 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HB3' HD13 ' A' ' 5' ' ' LEU . 97.1 mttt -103.26 109.23 20.76 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.284 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -92.78 150.66 20.49 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -78.21 120.84 23.58 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.5 m . . . . . 0 C--N 1.298 -1.659 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.586 177.658 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm . . . . . 0 CA--C 1.495 -1.137 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 42.3 mt -121.43 139.19 53.79 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 62.7 m -100.33 122.93 43.89 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.632 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 5.3 m-20 -81.3 99.81 8.85 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -95.34 121.71 61.27 Favored Pre-proline 0 C--N 1.301 -1.532 0 C-N-CA 123.046 0.538 . . . . 0.0 110.495 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -64.24 119.78 6.92 Favored 'Trans proline' 0 C--O 1.25 1.101 0 C-N-CA 122.387 2.058 . . . . 0.0 111.51 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 t -64.19 122.89 17.71 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.885 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.35 -35.54 29.41 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -72.86 -39.24 66.63 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.629 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.453 ' HE3' ' NE2' ' A' ' 26' ' ' GLN . 20.7 t-105 -73.58 114.51 11.9 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.89 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -131.58 148.83 52.65 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.742 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . 105.3 -109.4 3.24 Favored Glycine 0 N--CA 1.435 -1.397 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.556 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -131.34 155.9 46.44 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.95 108.11 7.24 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.93 -28.14 8.97 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -118.8 98.86 6.42 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -62.29 -27.15 68.83 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -72.34 -14.85 61.84 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.454 -0.779 . . . . 0.0 111.384 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -76.55 -42.5 42.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.6 p -74.91 -30.51 61.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.2 t -60.31 -46.43 89.89 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -62.35 -46.03 90.49 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.453 ' NE2' ' HE3' ' A' ' 13' ' ' TRP . 29.8 tt0 -51.08 -55.16 19.01 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.221 0.951 . . . . 0.0 110.577 176.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 90.4 m -66.25 -42.81 88.04 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -67.65 -24.27 65.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.202 0.456 . . . . 0.0 111.865 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -89.4 -58.99 2.33 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.517 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -74.19 -39.86 62.88 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.679 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.58 -172.69 2.09 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -103.22 27.24 7.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 98.2 m-85 -90.47 76.87 6.59 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.24 65.15 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.296 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 91.8 m-85 -85.99 -2.41 58.27 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.467 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 -157.7 37.23 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.184 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.25 169.25 34.81 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.21 150.82 43.19 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.9 m -102.43 137.56 40.51 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.013 0.435 . . . . 0.0 110.916 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -145.47 143.08 29.8 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 90.6 t80 -75.05 131.52 40.64 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.777 0.798 . . . . 0.0 111.068 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -137.56 148.65 46.08 Favored 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 88.6 t80 -63.21 132.25 95.04 Favored Pre-proline 0 C--N 1.286 -2.173 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.443 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 42.4 Cg_endo -105.86 12.85 9.25 Favored 'Cis proline' 0 CA--C 1.55 1.322 0 C-N-CA 124.751 -0.937 . . . . 0.0 114.498 -0.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 23.5 p -145.76 159.21 43.51 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.988 -0.445 . . . . 0.0 112.081 -173.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.0 t -73.84 113.07 11.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -104.69 143.38 33.17 Favored 'General case' 0 N--CA 1.419 -1.987 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -96.62 129.92 43.93 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.632 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 59.9 m-85 -111.06 107.81 17.32 Favored 'General case' 0 N--CA 1.411 -2.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.7 m -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.869 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 52.9 mtmt -92.45 121.83 34.3 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -107.92 149.74 27.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 170.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 35' ' ' TYR . 37.4 tt0 -75.39 126.91 31.97 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.288 -2.084 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.872 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 3.4 mptp? . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 74.8 mt -106.63 130.4 54.39 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.784 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.84 141.08 30.47 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.052 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 51.0 m-20 -94.21 113.23 25.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.697 0.761 . . . . 0.0 111.025 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.2 t -102.38 115.65 64.16 Favored Pre-proline 0 C--N 1.297 -1.708 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.27 126.29 21.58 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.813 2.342 . . . . 0.0 111.794 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 m -76.55 123.05 25.49 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.61 -20.29 24.95 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -80.04 -8.95 59.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-O 121.723 0.773 . . . . 0.0 109.2 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -110.4 128.42 55.57 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -119.94 127.51 52.73 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.417 0.627 . . . . 0.0 111.983 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.88 -147.37 18.65 Favored Glycine 0 N--CA 1.425 -2.047 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.096 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -83.85 136.5 34.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.307 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.0 t -102.06 117.09 34.08 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.016 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.67 1.69 42.21 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.883 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 t -150.36 113.18 4.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 120.848 0.356 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -66.66 -27.28 67.54 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.075 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 t -76.06 -39.35 55.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.827 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.86 -48.7 80.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.49 -31.3 69.48 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.521 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.453 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 13.4 t -60.3 -49.73 76.44 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.16 -36.3 77.24 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.275 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -61.03 -53.19 60.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.692 0.282 . . . . 0.0 110.265 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.4 t -70.06 -36.65 75.14 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -177.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.59 -37.52 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.931 0.396 . . . . 0.0 111.018 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.87 -39.54 26.25 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -79.8 -43.64 22.09 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 120.683 0.277 . . . . 0.0 111.598 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.84 -165.4 1.07 Allowed 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.815 0.446 . . . . 0.0 110.459 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -102.33 21.32 15.26 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -87.99 102.11 14.42 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.689 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.47 72.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.161 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.03 7.72 45.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.476 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.62 -123.58 33.25 Favored Glycine 0 N--CA 1.433 -1.529 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.442 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.02 166.48 34.06 Favored Glycine 0 N--CA 1.414 -2.789 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.29 160.91 38.72 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.6 m -109.12 135.77 49.71 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.473 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -136.15 156.44 48.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -173.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -74.9 136.9 41.43 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 122.059 0.933 . . . . 0.0 112.461 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -150.0 141.11 23.03 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.4 136.22 96.67 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -94.85 -16.15 12.01 Favored 'Cis proline' 0 CA--C 1.549 1.249 0 C-N-CA 123.758 -1.351 . . . . 0.0 114.819 0.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -128.87 149.23 50.85 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.849 -0.532 . . . . 0.0 111.459 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.84 117.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 123.2 0.6 . . . . 0.0 109.857 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.86 163.6 14.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.372 -174.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.9 t -92.81 141.85 27.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 120.972 0.415 . . . . 0.0 110.341 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.502 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 82.8 m-85 -132.12 119.2 20.62 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 26.4 mtpp -109.53 107.1 17.09 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.962 -172.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 31.1 ptt85 -97.32 158.05 15.66 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.8 117.54 20.01 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.485 0.714 . . . . 0.0 110.775 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.293 -1.886 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.279 175.854 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.439 -1.008 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 47.4 mt -109.4 135.54 50.27 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 121.569 0.699 . . . . 0.0 109.608 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.5 m -106.07 132.23 52.4 Favored 'General case' 0 C--N 1.277 -2.563 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -76.81 109.03 10.26 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 50' ' ' CYS . 9.4 p -102.96 123.35 42.4 Favored Pre-proline 0 C--N 1.307 -1.262 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.53 117.61 3.84 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.933 2.422 . . . . 0.0 111.386 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -73.63 105.92 5.16 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.54 -23.65 77.56 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -67.91 -27.99 67.12 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 115.147 -0.526 . . . . 0.0 111.342 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -88.64 140.82 29.07 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 m -126.93 114.18 17.5 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.62 -154.7 17.91 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.453 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.435 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 54.1 t60 -77.03 133.39 39.12 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.297 0.639 . . . . 0.0 111.2 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 35.1 t -87.5 96.63 10.46 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.5 -35.67 3.26 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -94.39 98.05 10.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.105 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 14.7 m -62.51 -35.48 79.52 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 123.107 0.563 . . . . 0.0 111.14 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -69.19 -36.62 77.51 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -72.43 -36.22 68.52 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.287 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.5 t -51.78 -56.78 11.86 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.118 0.886 . . . . 0.0 110.388 176.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' A' ' 37' ' ' GLY . 8.6 p -66.6 -54.07 27.47 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.916 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -56.93 -44.41 82.44 Favored 'General case' 0 C--O 1.189 -2.097 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.735 -175.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.3 -52.16 64.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.426 ' HB2' ' ND1' ' A' ' 32' ' ' HIS . 26.7 p -74.27 -32.08 62.78 Favored 'General case' 0 C--O 1.261 1.697 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.318 -175.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.5 -43.29 81.24 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.387 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.38 -39.61 94.99 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 123.324 0.65 . . . . 0.0 109.658 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 15.6 tpp180 -61.29 -82.07 0.02 OUTLIER 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.075 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 28.7 mt-10 179.05 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.865 1.666 . . . . 0.0 108.999 -177.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.426 ' ND1' ' HB2' ' A' ' 27' ' ' CYS . 61.8 m80 -140.32 -96.29 0.15 Allowed 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.72 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -146.32 145.8 30.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -174.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -20.22 66.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.588 0.555 . . . . 0.0 111.582 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -67.98 -23.63 65.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.786 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.85 5.3 Favored Glycine 0 N--CA 1.423 -2.215 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.19 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 24' ' ' SER . . . -176.14 -176.78 44.63 Favored Glycine 0 N--CA 1.417 -2.578 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.631 -176.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.4 163.11 39.69 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.44 127.85 34.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.643 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 74.7 t60 -141.7 144.44 34.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.6 t80 -86.92 125.72 34.22 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.673 -0.642 . . . . 0.0 111.69 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -133.3 -84.81 0.45 Allowed 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.024 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 67.9 t80 -158.77 136.15 7.05 Favored Pre-proline 0 C--N 1.274 -2.693 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.153 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 1.8 Cg_endo -89.17 -10.51 39.33 Favored 'Cis proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.702 -1.374 . . . . 0.0 110.556 -4.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 m -131.53 -178.49 4.88 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.646 -174.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 58.2 t -55.84 122.85 5.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 171.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -116.32 159.75 21.47 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -173.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -84.09 132.61 34.69 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.643 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.9 m-85 -125.56 117.32 23.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.458 ' O ' HG12 ' A' ' 8' ' ' VAL . 32.8 m -78.92 144.08 35.2 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.1 mttt -95.59 107.54 19.73 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.315 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -88.15 141.18 28.77 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.018 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -73.46 115.8 13.27 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.794 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 C--N 1.295 -1.782 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.226 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.5 mptt . . . . . 0 N--CA 1.44 -0.947 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.4 mt -114.01 162.16 16.79 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.387 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.2 117.4 24.52 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.33 103.4 4.71 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.041 0.448 . . . . 0.0 110.302 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -103.59 118.59 57.15 Favored Pre-proline 0 C--N 1.311 -1.096 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.63 130.4 23.39 Favored 'Trans proline' 0 C--O 1.246 0.89 0 C-N-CA 122.477 2.118 . . . . 0.0 111.834 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m -98.85 132.97 43.79 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-O 121.141 0.496 . . . . 0.0 111.73 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.66 -7.65 74.86 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 p -76.46 -24.8 53.87 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.899 0.88 . . . . 0.0 110.44 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t-105 -91.46 135.41 33.86 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -101.09 112.83 25.4 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.87 -126.79 7.69 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -84.18 145.04 28.58 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 124.249 1.019 . . . . 0.0 112.172 -170.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 49.8 t -112.2 107.52 16.44 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.41 -32.94 2.61 Favored Glycine 0 C--N 1.302 -1.356 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -99.29 104.37 16.28 Favored 'General case' 0 N--CA 1.416 -2.164 0 CA-C-O 121.568 0.699 . . . . 0.0 110.559 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 m -70.31 -33.65 71.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.334 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -69.67 -40.18 76.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.64 -40.44 84.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.422 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.4 t -52.63 -56.37 15.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.178 0.924 . . . . 0.0 110.073 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.579 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 4.3 p -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.64 -46.39 89.14 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.44 -45.45 76.02 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.179 0.445 . . . . 0.0 111.061 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.7 t -67.4 -44.27 79.26 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-O 121.843 0.83 . . . . 0.0 110.529 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -75.39 -21.59 58.14 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.56 -36.06 45.09 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 31' ' ' GLU . 21.3 tpp180 -65.6 -70.81 0.22 Allowed 'General case' 0 N--CA 1.411 -2.414 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.916 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 10.6 pt-20 -178.42 12.28 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.276 51.6 m-70 -89.84 -94.08 0.12 Allowed 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -166.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -143.18 163.43 32.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.523 0.602 . . . . 0.0 110.683 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.26 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.316 0.579 . . . . 0.0 110.477 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.31 20.08 12.13 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 24' ' ' SER . . . -71.24 69.64 0.85 Allowed Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 24' ' ' SER . . . 153.06 121.5 0.86 Allowed Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.312 -0.947 . . . . 0.0 114.205 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.37 144.16 22.73 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.3 m -76.1 120.65 21.7 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.613 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.7 t-160 -129.64 131.69 46.51 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 86.6 t80 -66.53 132.04 47.35 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.829 0.823 . . . . 0.0 111.677 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -132.97 157.27 45.59 Favored 'General case' 0 C--N 1.278 -2.515 0 N-CA-C 104.671 -2.344 . . . . 0.0 104.671 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 64.2 t80 -82.82 131.69 53.69 Favored Pre-proline 0 C--N 1.282 -2.342 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 66.4 Cg_endo -100.16 2.28 23.46 Favored 'Cis proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.357 -1.101 . . . . 0.0 113.463 -1.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -129.13 149.28 51.01 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -174.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 57.5 t -67.27 122.55 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -123.58 166.99 14.51 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.44 110.97 18.61 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 123.628 0.771 . . . . 0.0 110.089 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 6.6 m-85 -107.36 123.84 48.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.81 112.37 24.1 Favored 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.429 -177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -73.24 119.46 17.51 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.378 -176.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -95.11 155.12 16.86 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -82.12 130.81 35.19 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.294 -1.815 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.61 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 61.3 mt -97.14 145.96 25.51 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.332 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -117.16 139.53 50.64 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.097 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -83.9 110.38 18.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.599 0.562 . . . . 0.0 111.013 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.25 121.87 39.24 Favored Pre-proline 0 C--N 1.301 -1.51 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 122.25 11.15 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.388 2.058 . . . . 0.0 111.436 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -67.38 104.0 1.42 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.475 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.16 -23.23 78.02 Favored Glycine 0 CA--C 1.504 -0.623 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -94.55 14.85 19.57 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.221 0.534 . . . . 0.0 110.979 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.51 ' CE3' ' HA ' ' A' ' 23' ' ' CYS . 73.8 t-105 -111.37 133.61 53.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -91.83 102.19 14.79 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.153 0.501 . . . . 0.0 112.18 -175.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.98 -123.68 18.78 Favored Glycine 0 C--O 1.245 0.806 0 N-CA-C 116.294 1.278 . . . . 0.0 116.294 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.52 131.85 46.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.726 0.81 . . . . 0.0 112.428 -173.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.68 98.07 11.19 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.57 -43.03 2.79 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 119.9 -1.143 . . . . 0.0 110.304 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -103.45 109.43 21.07 Favored 'General case' 0 N--CA 1.423 -1.808 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -62.18 -37.06 83.84 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.161 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 t -68.75 -40.4 79.8 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.15 0.5 . . . . 0.0 110.542 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.76 -38.11 67.46 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.781 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.7 p -65.92 -43.63 87.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.741 -0.784 . . . . 0.0 110.068 -177.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -65.19 -51.08 63.26 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.159 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -59.73 -43.52 94.16 Favored 'General case' 0 C--O 1.212 -0.901 0 O-C-N 123.558 0.536 . . . . 0.0 111.12 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -66.84 -46.18 75.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.005 0.431 . . . . 0.0 110.835 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.0 t -56.52 -51.11 69.76 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 124.296 1.038 . . . . 0.0 109.846 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -60.97 -54.93 38.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 126.433 1.893 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.73 -37.27 75.8 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 123.896 0.879 . . . . 0.0 111.721 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -75.91 -73.72 0.25 Allowed 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -157.4 29.25 0.29 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 118.971 0.805 . . . . 0.0 113.039 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.297 79.1 m80 -118.66 -109.68 0.35 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -137.28 150.65 47.95 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.165 -170.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -3.06 28.24 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 112.151 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.1 -10.25 50.67 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.455 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -138.47 33.47 Favored Glycine 0 N--CA 1.434 -1.457 0 C-N-CA 120.487 -0.864 . . . . 0.0 111.555 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.84 -172.88 38.23 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.62 168.15 24.38 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.6 m -83.12 129.22 35.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.51 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 65.7 t-80 -134.4 144.29 48.1 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 57.3 t80 -80.12 134.82 36.2 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.536 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -145.67 161.36 40.05 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.22 135.56 79.5 Favored Pre-proline 0 C--N 1.286 -2.165 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -108.2 22.35 6.49 Favored 'Cis proline' 0 CA--C 1.55 1.303 0 CA-C-N 119.633 0.905 . . . . 0.0 113.251 -0.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -159.25 157.23 30.24 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.3 t -66.65 118.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -123.42 165.56 16.84 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.8 t -91.56 139.62 30.52 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.704 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 31.0 m-85 -125.21 120.23 30.71 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.354 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -90.71 143.83 26.34 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.196 0.522 . . . . 0.0 111.375 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 54.6 mtmt -93.79 117.27 29.87 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.428 -172.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 5.0 ptm180 -104.82 151.29 23.98 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -77.51 117.58 19.1 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 123.593 0.558 . . . . 0.0 110.341 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.684 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 CA--C 1.507 -0.7 0 CA-C-O 120.985 0.421 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.45 76.86 0.22 Allowed Glycine 0 N--CA 1.426 -1.99 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -67.17 136.28 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -86.43 109.15 18.85 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 120.886 0.374 . . . . 0.0 110.157 -173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.64 140.35 43.58 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -110.19 124.57 51.82 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.426 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.07 107.07 12.57 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.03 138.67 19.73 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.604 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.18 142.17 59.94 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.444 2.096 . . . . 0.0 112.352 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -90.64 144.35 25.84 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.89 -19.61 19.09 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 p -75.53 -54.56 6.81 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 123.689 0.795 . . . . 0.0 110.765 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -79.51 135.85 36.74 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -146.36 157.95 43.84 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.56 -105.81 3.01 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.828 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -135.51 143.75 45.95 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 37.0 t -109.29 104.58 13.73 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.24 -20.53 12.19 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.078 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 p -127.06 115.15 18.75 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.33 0.586 . . . . 0.0 110.941 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 p -73.15 -23.1 60.41 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.0 p -68.89 -40.64 79.1 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.139 0.495 . . . . 0.0 110.259 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.05 -34.18 50.58 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 22.2 t -56.95 -51.15 70.32 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 123.486 0.492 . . . . 0.0 109.774 173.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -64.21 -41.28 97.11 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -59.84 -44.41 94.11 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.93 -48.37 78.43 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.496 0.498 . . . . 0.0 110.731 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.7 m -63.42 -40.5 97.35 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.92 -32.0 65.01 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.301 0.572 . . . . 0.0 110.78 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.93 -47.67 18.09 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.267 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -73.37 -46.55 48.4 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.161 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.7 -167.35 1.85 Allowed 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.27 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -91.05 26.51 2.12 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.274 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -88.32 78.57 7.96 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.99 63.64 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.465 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 53' ' ' GLN . 88.5 m-85 -85.6 -1.71 57.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.056 0.455 . . . . 0.0 110.779 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.5 -131.32 10.29 Favored Glycine 0 N--CA 1.424 -2.154 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.421 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.6 173.13 45.52 Favored Glycine 0 N--CA 1.419 -2.439 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.09 163.3 33.97 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.42 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 75.2 m -87.3 114.17 23.67 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.635 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 44.8 t60 -119.51 139.89 51.36 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 44.2 t80 -80.71 128.94 34.21 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 121.501 0.667 . . . . 0.0 110.399 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -138.49 166.41 24.36 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 53.1 t80 -78.01 133.29 65.53 Favored Pre-proline 0 C--N 1.292 -1.924 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 Cg_endo -101.41 3.9 19.33 Favored 'Cis proline' 0 CA--C 1.554 1.482 0 N-CA-C 114.681 0.993 . . . . 0.0 114.681 0.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.5 m -145.59 167.78 22.24 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.443 -0.786 . . . . 0.0 112.266 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.2 t -66.86 119.37 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -119.79 161.83 20.12 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.19 126.21 31.81 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 18.7 m-85 -120.71 124.09 44.31 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.7 m -83.41 141.62 31.59 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.336 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.22 109.08 21.91 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.086 0.469 . . . . 0.0 110.833 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -99.35 160.36 14.33 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' HB2' ' CE2' ' A' ' 35' ' ' TYR . 40.2 tt0 -89.62 137.61 32.19 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.276 -2.598 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.542 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--O 1.238 0.471 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.63 -133.3 11.82 Favored Glycine 0 CA--C 1.491 -1.461 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -85.59 133.56 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.8 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -94.48 140.33 29.98 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 53' ' ' GLN . 51.8 mt -118.31 141.32 48.64 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.93 120.83 41.84 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 22.7 m-20 -91.35 106.21 18.33 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -101.27 135.0 19.98 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.2 120.24 7.62 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.254 1.97 . . . . 0.0 112.048 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -78.96 116.28 19.18 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.91 73.54 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.291 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -8.59 56.76 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.458 ' HB2' ' OE1' ' A' ' 26' ' ' GLN . 25.0 t-105 -100.75 124.65 46.68 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 t -125.09 141.21 52.26 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.57 -164.45 29.19 Favored Glycine 0 N--CA 1.433 -1.507 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -72.3 146.22 47.33 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 123.276 0.63 . . . . 0.0 110.37 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 t -109.74 100.11 9.17 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.34 -46.72 1.39 Allowed Glycine 0 N--CA 1.439 -1.146 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -83.01 102.59 11.85 Favored 'General case' 0 N--CA 1.424 -1.756 0 CA-C-O 121.112 0.482 . . . . 0.0 110.092 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -65.32 -30.61 71.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.106 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 m -73.34 -27.07 61.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.808 0.337 . . . . 0.0 111.352 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -74.98 -34.6 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.05 -48.04 75.21 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.985 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.442 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 12.7 p -64.12 -40.79 96.95 Favored 'General case' 0 N--CA 1.434 -1.245 0 O-C-N 122.23 -0.294 . . . . 0.0 111.16 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.05 -44.69 97.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.458 ' OE1' ' HB2' ' A' ' 13' ' ' TRP . 36.1 tt0 -59.18 -52.42 65.79 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.619 0.574 . . . . 0.0 110.604 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -66.14 -32.28 73.63 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -71.12 -31.61 67.97 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.684 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -81.05 -48.4 12.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.672 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -72.74 -46.98 50.71 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.399 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -103.05 -168.22 1.49 Allowed 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -177.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -114.7 24.17 12.04 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -93.74 116.3 28.78 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 121.172 0.51 . . . . 0.0 111.591 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.31 73.76 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.834 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -71.35 -13.25 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.229 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.77 9.85 Favored Glycine 0 N--CA 1.436 -1.362 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.87 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -163.47 161.28 33.97 Favored Glycine 0 N--CA 1.422 -2.246 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.63 162.17 35.74 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.3 m -90.68 128.13 36.54 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.591 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 41.6 t-80 -139.94 151.69 45.76 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -82.35 139.29 34.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.37 0.605 . . . . 0.0 110.803 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -151.96 164.7 36.6 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 58.7 t80 -67.65 130.37 93.13 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 59.6 Cg_endo -111.48 23.4 3.04 Favored 'Cis proline' 0 CA--C 1.555 1.569 0 C-N-CA 125.079 -0.8 . . . . 0.0 113.746 -1.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 t -159.98 164.64 33.14 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -174.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 50.0 t -68.92 117.32 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -116.27 167.36 11.09 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.3 129.16 36.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 85.3 m-85 -124.3 118.6 27.14 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.4 m -71.85 126.32 29.44 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 124.235 0.96 . . . . 0.0 108.988 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 26.6 mtpp -95.97 104.9 16.86 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -97.96 147.43 24.49 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HA ' HD23 ' A' ' 5' ' ' LEU . 63.3 tt0 -80.26 121.55 25.78 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 C--O 1.265 1.871 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.324 -179.327 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 120.744 0.307 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.12 105.61 0.2 Allowed Glycine 0 N--CA 1.416 -2.639 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.7 t -81.07 122.76 36.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -92.23 147.72 22.71 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 47.9 mt -118.08 133.81 55.56 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.34 140.13 38.92 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.445 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -78.95 122.98 26.83 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 123.749 0.656 . . . . 0.0 111.236 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -118.1 116.93 35.56 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -48.84 132.83 27.13 Favored 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.16 2.574 . . . . 0.0 112.179 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -80.1 106.96 12.51 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.82 50.46 3.62 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.355 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 30' ' ' ARG . 7.8 p -152.33 -58.25 0.14 Allowed 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.493 1.117 . . . . 0.0 109.002 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -63.67 123.88 19.98 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.515 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 m -125.57 124.91 42.3 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.83 -154.18 16.76 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -83.22 139.95 32.82 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.088 0.555 . . . . 0.0 110.298 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 16.6 t -97.15 100.31 11.79 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.04 8.36 27.25 Favored Glycine 0 N--CA 1.438 -1.21 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.88 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -135.52 102.59 5.17 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -69.04 -31.81 70.87 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 m -70.29 -40.79 74.08 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.15 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -78.07 -32.9 50.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.409 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 31.1 t -57.72 -49.18 77.38 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.339 0.59 . . . . 0.0 110.005 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 13.5 p -68.22 -47.74 67.02 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.298 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -52.91 -52.28 58.25 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.289 0.635 . . . . 0.0 111.393 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.74 -40.18 96.4 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.378 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.207 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -67.73 -27.29 66.67 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.389 0.614 . . . . 0.0 110.185 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -83.64 -51.73 7.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.578 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 12' ' ' THR . 13.9 mmt85 -82.28 -44.9 15.69 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.047 0.451 . . . . 0.0 112.024 -174.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -99.36 -166.55 1.36 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -128.52 78.15 1.82 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.449 0.643 . . . . 0.0 109.705 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.26 114.64 14.01 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.628 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.63 81.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.274 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.89 -11.37 59.99 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.272 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.72 -110.21 3.08 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.968 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -172.84 179.57 44.22 Favored Glycine 0 N--CA 1.417 -2.58 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -176.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.9 164.86 37.7 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.7 m -92.41 121.76 34.2 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -138.67 148.81 44.46 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -79.79 133.75 36.32 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.271 0.557 . . . . 0.0 111.071 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -137.86 -76.4 0.39 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.401 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 62.1 t80 -175.07 137.45 0.56 Allowed Pre-proline 0 C--N 1.272 -2.773 0 CA-C-N 114.035 -1.439 . . . . 0.0 107.313 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 44.0 Cg_endo -93.94 8.95 53.66 Favored 'Cis proline' 0 CA--C 1.535 0.571 0 C-N-CA 124.072 -1.22 . . . . 0.0 111.057 -3.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -155.84 -179.3 8.0 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.7 t -61.88 121.33 9.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -119.5 164.18 16.18 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.12 121.07 31.08 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.94 128.51 50.37 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.97 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.9 m -75.71 143.03 42.31 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.39 112.26 24.9 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.239 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 13.4 ptm180 -98.96 148.56 23.86 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.302 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -76.3 119.56 20.35 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 123.867 0.729 . . . . 0.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 C--N 1.29 -2.011 0 CA-C-O 118.11 -0.948 . . . . 0.0 109.37 178.735 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.0 t70 . . . . . 0 C--O 1.24 0.568 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.25 -42.96 99.93 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 121.522 -0.371 . . . . 0.0 112.464 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.91 152.72 24.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -93.41 111.4 23.05 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 174.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 78.7 mt -103.77 134.79 46.49 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.664 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.4 131.54 50.4 Favored 'General case' 0 C--N 1.279 -2.464 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.92 103.13 9.6 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.57 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.66 117.16 67.48 Favored Pre-proline 0 C--N 1.304 -1.387 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.25 116.16 3.21 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.402 2.068 . . . . 0.0 111.295 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.445 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 40.3 t -70.13 119.25 14.05 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.76 -16.89 57.61 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.0 p -80.23 -27.76 38.69 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-O 121.386 0.613 . . . . 0.0 111.119 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -85.35 128.74 34.81 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -102.3 112.48 25.2 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.14 -141.05 21.23 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 114.687 0.635 . . . . 0.0 114.687 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 71.7 t60 -65.9 135.34 54.66 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.491 1.117 . . . . 0.0 112.297 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.39 103.0 14.87 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.13 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.85 24.03 20.23 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.002 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -157.41 106.8 2.16 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.663 0.268 . . . . 0.0 110.334 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 -39.68 95.04 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -67.79 -40.33 83.96 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.651 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -76.58 -31.25 57.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.981 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.4 t -62.05 -48.8 78.62 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.517 0.675 . . . . 0.0 109.545 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 9.7 p -67.42 -43.18 81.87 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.535 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.03 -42.82 95.23 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.123 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.19 -59.53 4.43 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.494 0.318 . . . . 0.0 111.723 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.4 m -73.07 -26.52 61.3 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -77.28 -31.0 54.57 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.246 0.546 . . . . 0.0 110.62 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -84.68 -41.4 16.32 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -76.85 -54.71 6.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.175 0.512 . . . . 0.0 111.339 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -107.13 -164.2 0.97 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -112.0 38.47 2.66 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.231 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 33.7 m-85 -78.34 102.75 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.1 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.957 0.408 . . . . 0.0 111.847 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -89.55 -9.34 50.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.037 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.11 -89.99 0.34 Allowed Glycine 0 N--CA 1.429 -1.819 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.58 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . 172.99 174.89 40.43 Favored Glycine 0 N--CA 1.417 -2.577 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . . . -146.28 162.21 38.61 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -82.46 111.0 18.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.62 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.4 t-160 -113.98 144.8 42.49 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 64.6 t80 -73.62 137.3 44.12 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.501 0.667 . . . . 0.0 111.188 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.89 159.49 42.07 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 63.5 t80 -80.43 132.02 60.03 Favored Pre-proline 0 C--N 1.296 -1.758 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.862 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 86.5 Cg_endo -105.12 15.04 10.52 Favored 'Cis proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.882 -0.882 . . . . 0.0 111.76 -4.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -138.77 148.16 43.51 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 122.125 -0.359 . . . . 0.0 111.094 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' HIS . 98.3 t -61.62 125.36 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.384 -0.825 . . . . 0.0 108.832 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 10' ' ' SER . 84.8 tttt -123.74 164.97 18.08 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.25 125.55 30.45 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.62 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 36.5 m-85 -121.96 116.15 23.82 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.7 m -81.19 116.2 20.97 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 68.2 mttm -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.438 -174.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -98.93 155.58 17.33 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.996 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.74 123.56 26.84 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.286 -2.182 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.957 176.225 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--O 1.24 0.557 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.66 -38.08 94.2 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.968 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -101.23 130.23 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-O 121.099 0.476 . . . . 0.0 110.445 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.3 mptt -109.0 144.91 36.38 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.6 mt -124.19 150.96 44.61 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 m -118.33 143.94 46.24 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -85.1 109.7 18.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 123.621 0.576 . . . . 0.0 111.091 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.41 117.05 59.17 Favored Pre-proline 0 C--N 1.294 -1.81 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.63 112.3 1.57 Allowed 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.114 1.876 . . . . 0.0 111.574 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -70.74 113.18 7.57 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.505 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.0 78.34 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.74 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t -77.69 -11.0 59.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 121.175 0.512 . . . . 0.0 110.15 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -106.91 106.88 17.63 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.0 t -112.36 138.55 48.93 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.81 -167.25 14.45 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -80.07 142.15 35.17 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 122.44 0.296 . . . . 0.0 110.237 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 32.7 t -103.77 102.95 12.78 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.2 -1.57 20.41 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.015 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -127.6 104.13 7.71 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 122.392 -0.476 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 p -63.56 -35.25 79.88 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -66.16 -36.58 83.48 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.649 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -79.99 -33.38 39.45 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.394 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 26.1 t -57.57 -50.65 72.41 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -66.41 -44.82 81.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.868 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -54.53 -57.15 12.5 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 123.15 0.58 . . . . 0.0 111.822 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.73 -39.85 93.01 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.38 0.425 . . . . 0.0 111.163 -176.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.67 -40.81 88.75 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.022 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 56.7 mtmt -74.58 -23.69 58.79 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.417 0.627 . . . . 0.0 110.914 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.46 -46.72 30.83 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.365 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -84.52 -54.91 4.43 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.244 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.92 -179.74 4.03 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.261 0.553 . . . . 0.0 110.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -107.37 80.22 1.39 Allowed 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.606 0.717 . . . . 0.0 111.71 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 64.3 m-85 -116.26 106.14 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.588 176.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.23 69.09 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.348 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -97.75 -0.26 45.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.412 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.46 -118.74 11.29 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.947 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.98 174.03 44.11 Favored Glycine 0 N--CA 1.416 -2.655 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.83 161.21 43.03 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.41 128.92 34.71 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.641 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 34.0 t60 -137.08 148.27 46.63 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 80.2 t80 -74.5 133.9 42.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 122.272 1.034 . . . . 0.0 113.59 -176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -147.07 145.04 29.51 Favored 'General case' 0 N--CA 1.412 -2.358 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 63.2 t80 -69.1 139.36 90.19 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 73.6 Cg_endo -98.12 -0.45 29.76 Favored 'Cis proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.177 -1.176 . . . . 0.0 113.886 0.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 p -144.38 140.01 28.79 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 119.574 -0.251 . . . . 0.0 110.731 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 90.2 t -47.34 124.24 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.341 1.026 . . . . 0.0 110.464 176.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -115.4 168.73 9.73 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -173.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -85.59 125.1 32.86 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 55.1 m-85 -119.13 109.72 16.22 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-O 121.122 0.487 . . . . 0.0 111.017 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -67.4 140.03 57.16 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.046 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 5' ' ' LEU . 45.4 mmtm -101.56 113.41 26.52 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm85 -100.18 147.38 25.77 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.553 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -72.47 123.77 23.8 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.5 m . . . . . 0 C--N 1.283 -2.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 120.684 0.278 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.57 -31.96 12.38 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.56 144.16 27.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.65 110.34 21.67 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.438 0.637 . . . . 0.0 109.504 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.45 133.23 44.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.183 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.98 128.26 38.78 Favored 'General case' 0 C--N 1.262 -3.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.175 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -89.54 127.0 35.82 Favored 'General case' 0 CA--C 1.481 -1.691 0 O-C-N 124.282 0.989 . . . . 0.0 109.75 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -121.38 140.36 31.26 Favored Pre-proline 0 C--N 1.282 -2.368 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -59.5 123.17 12.79 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.013 1.809 . . . . 0.0 109.462 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -64.76 112.0 3.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 121.116 0.484 . . . . 0.0 110.453 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.04 -1.73 88.0 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.819 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -108.56 -18.58 13.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -89.23 141.21 28.73 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -115.63 106.29 13.74 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.958 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.28 -144.65 18.05 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 115.478 0.951 . . . . 0.0 115.478 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.12 137.15 56.84 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 124.953 1.301 . . . . 0.0 111.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 t -100.57 100.69 11.46 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.27 13.43 18.93 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -136.91 94.05 2.92 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 m -64.12 -50.13 69.48 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.926 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -65.59 -35.17 80.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.953 0.406 . . . . 0.0 110.44 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -66.11 -43.83 86.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.252 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.5 t -57.14 -45.01 83.93 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 123.707 0.629 . . . . 0.0 109.978 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.451 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 14.8 m -60.05 -54.63 43.7 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.797 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -68.06 -44.67 75.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.2 m -65.39 -40.24 93.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.675 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -70.67 -23.31 62.48 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.642 0.734 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.11 -50.44 16.36 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.418 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -67.37 -57.55 6.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 41.2 mt-10 -120.82 176.45 5.53 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -86.82 76.65 9.42 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.956 0.884 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 79.1 m-85 -99.28 105.38 17.38 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.403 174.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -26.2 66.42 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 123.572 0.545 . . . . 0.0 112.244 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.03 10.86 17.58 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.084 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.62 -101.75 0.49 Allowed Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.307 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -175.73 168.01 40.13 Favored Glycine 0 N--CA 1.422 -2.251 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.75 156.37 45.59 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 117.145 0.473 . . . . 0.0 109.906 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.6 m -76.8 119.93 21.26 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 30.8 t-80 -131.13 127.16 37.52 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.379 0.609 . . . . 0.0 110.747 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.8 t80 -85.91 115.7 23.69 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -130.98 -69.28 0.64 Allowed 'General case' 0 C--N 1.287 -2.11 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.183 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 72.4 t80 -165.1 130.98 2.08 Favored Pre-proline 0 C--N 1.267 -2.996 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.396 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 27.7 Cg_endo -97.71 7.76 35.4 Favored 'Cis proline' 0 CA--C 1.534 0.518 0 C-N-CA 124.693 -0.961 . . . . 0.0 110.374 -5.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.8 m -150.95 -179.39 7.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.7 p -86.88 115.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.968 0.89 . . . . 0.0 110.855 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -122.05 165.04 16.66 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.116 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 t -78.24 125.14 28.93 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 64.1 m-85 -119.53 115.26 23.67 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.0 m -75.1 140.48 43.47 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -116.94 114.63 24.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -110.7 148.07 33.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.102 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.81 132.4 45.25 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.302 -1.49 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.358 174.41 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.702 0.287 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.02 -97.21 1.05 Allowed Glycine 0 N--CA 1.432 -1.603 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -121.09 138.15 52.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -69.12 115.03 7.94 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.854 0.359 . . . . 0.0 111.545 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 53' ' ' GLN . 68.0 mt -125.9 143.24 51.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.0 m -110.79 129.97 55.7 Favored 'General case' 0 C--N 1.279 -2.484 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -88.66 107.41 18.92 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 30.6 m -102.35 134.83 19.76 Favored Pre-proline 0 C--N 1.306 -1.299 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.633 -177.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 21.9 Cg_exo -61.96 119.6 6.79 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.472 2.115 . . . . 0.0 112.067 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 m -79.01 113.41 17.11 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.903 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 -17.34 79.32 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 111.828 -0.509 . . . . 0.0 111.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -72.33 -22.62 61.15 Favored 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.025 0.93 . . . . 0.0 110.947 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -98.24 135.94 39.15 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -133.5 122.15 23.21 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -169.48 12.95 Favored Glycine 0 N--CA 1.421 -2.352 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.353 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -71.55 136.24 47.39 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 123.389 0.676 . . . . 0.0 110.775 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.8 t -90.23 99.88 12.81 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.17 -38.68 3.98 Favored Glycine 0 N--CA 1.427 -1.953 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.544 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.4 t -106.52 109.42 21.33 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 120.883 0.373 . . . . 0.0 110.059 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -64.62 -31.9 73.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.675 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 t -67.19 -40.7 86.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.486 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -72.38 -33.19 67.03 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.359 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.54 -47.43 85.58 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 123.318 0.386 . . . . 0.0 110.025 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 m -61.73 -48.9 78.63 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.848 0.356 . . . . 0.0 110.264 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.12 -43.58 91.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -58.32 -48.83 79.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.65 -44.23 96.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.617 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.66 -21.9 61.01 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.0 0.429 . . . . 0.0 111.6 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -85.7 -49.58 7.86 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.7 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 26' ' ' GLN . 10.1 mpt_? -78.02 -49.54 13.82 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -178.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.49 -165.64 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -128.54 90.09 3.0 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.27 108.89 7.45 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.6 67.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.501 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 96.9 m-85 -88.82 3.16 52.09 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -127.2 36.24 Favored Glycine 0 N--CA 1.437 -1.288 0 CA-C-N 115.681 -0.691 . . . . 0.0 113.151 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.78 163.55 37.12 Favored Glycine 0 N--CA 1.412 -2.957 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.21 162.1 36.51 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.95 115.29 16.61 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 18.1 t60 -120.86 132.09 54.79 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 59.2 t80 -66.06 132.65 49.02 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 121.643 0.735 . . . . 0.0 111.907 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -135.64 159.29 42.09 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 88.5 t80 -80.26 131.84 61.13 Favored Pre-proline 0 C--N 1.291 -1.968 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.509 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 43.9 Cg_endo -104.04 15.91 13.07 Favored 'Cis proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.829 -0.904 . . . . 0.0 112.601 -2.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 p -143.68 142.61 31.07 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.639 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.9 p -66.93 126.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.578 0.704 . . . . 0.0 110.975 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -124.05 165.89 16.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.333 -172.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.4 t -76.2 126.59 31.28 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 122.817 0.447 . . . . 0.0 110.038 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 10.4 m-85 -125.48 121.04 32.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.151 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.9 m -71.51 137.36 48.08 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 26.7 mtpp -96.7 103.43 15.35 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -93.99 149.38 21.28 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HA ' HD23 ' A' ' 5' ' ' LEU . 43.8 tt0 -82.32 122.1 27.53 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.9 m . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.72 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 CA--C 1.484 -1.57 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.56 -70.83 2.93 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 m -96.58 140.49 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 173.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -89.02 114.1 25.27 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 58.4 mt -103.42 136.12 43.77 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.55 130.62 46.64 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.416 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.61 105.06 11.57 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.07 122.84 41.75 Favored Pre-proline 0 C--N 1.304 -1.41 0 C-N-CA 123.437 0.695 . . . . 0.0 109.81 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.74 114.08 1.84 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.486 2.124 . . . . 0.0 111.194 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -61.27 133.2 55.64 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 123.704 0.802 . . . . 0.0 110.806 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.2 -30.92 58.13 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.9 t -66.38 -30.25 70.59 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.464 ' HB3' ' HB3' ' A' ' 48' ' ' CYS . 5.4 t-105 -107.48 110.32 22.23 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.766 -173.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -109.68 131.86 54.67 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -168.38 14.59 Favored Glycine 0 N--CA 1.436 -1.331 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.481 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -65.54 137.41 57.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.387 0.675 . . . . 0.0 111.18 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 31.4 t -116.65 111.54 19.99 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.14 31.68 3.12 Favored Glycine 0 N--CA 1.438 -1.212 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -149.19 94.67 2.26 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -58.58 -51.14 71.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.831 0.852 . . . . 0.0 113.019 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -69.92 -32.23 70.4 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.156 -0.34 . . . . 0.0 111.296 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.22 -42.28 80.05 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.9 t -56.22 -50.91 69.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.377 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.15 -49.13 79.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.754 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -64.16 -44.23 92.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -68.0 -38.16 82.29 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.98 -56.31 23.28 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.351 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.4 -27.18 68.91 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.494 0.496 . . . . 0.0 112.264 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.82 -53.29 9.4 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -79.25 -59.69 2.66 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.93 175.11 8.8 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -120.04 86.29 2.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.78 -0.575 . . . . 0.0 109.61 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -129.1 99.05 5.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.595 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.25 -13.28 57.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.644 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 94.3 m-85 -87.37 -4.62 59.04 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -159.99 43.7 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.73 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.86 168.57 29.98 Favored Glycine 0 N--CA 1.427 -1.931 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.42 161.76 41.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.2 m -81.98 124.34 29.68 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 t-80 -127.59 132.5 49.81 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 12.2 t80 -90.21 115.11 27.19 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 58.8 tt0 -125.72 172.27 9.94 Favored 'General case' 0 C--N 1.268 -2.95 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.501 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 91.2 t80 -68.13 127.34 93.29 Favored Pre-proline 0 C--N 1.278 -2.5 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 71.9 Cg_endo -103.84 2.65 12.9 Favored 'Cis proline' 0 CA--C 1.557 1.63 0 N-CA-C 114.906 1.079 . . . . 0.0 114.906 -0.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 p -145.35 169.62 17.92 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 4.8 p -89.43 117.64 33.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 122.148 0.975 . . . . 0.0 110.907 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -124.48 -179.64 4.56 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 44.8 t -87.73 126.47 35.0 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 23.4 m-85 -123.15 118.76 28.41 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 120.966 0.412 . . . . 0.0 110.341 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -80.39 150.03 29.97 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.412 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 61.8 mttp -98.16 111.1 23.55 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -101.01 160.92 13.97 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.556 -0.857 . . . . 0.0 108.912 174.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 131.96 34.21 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--N 1.294 -1.809 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.549 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.6 t70 . . . . . 0 CA--C 1.5 -0.956 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.14 48.32 3.42 Favored Glycine 0 N--CA 1.437 -1.239 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.491 HG13 ' HG ' ' A' ' 5' ' ' LEU . 14.7 p -79.75 147.45 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.75 96.65 1.65 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.468 0.652 . . . . 0.0 111.588 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' HG ' HG13 ' A' ' 3' ' ' VAL . 68.8 mt -112.31 124.48 52.57 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 174.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.3 m -99.05 132.66 44.2 Favored 'General case' 0 C--N 1.254 -3.569 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.569 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 23.5 m-20 -83.3 117.86 23.27 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.295 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.8 109.75 55.1 Favored Pre-proline 0 C--N 1.296 -1.758 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.04 130.74 26.58 Favored 'Trans proline' 0 C--N 1.332 -0.331 0 C-N-CA 122.204 1.936 . . . . 0.0 113.207 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 m -72.8 122.51 21.68 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.33 -35.19 15.07 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 t -62.26 -36.75 82.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.739 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -72.67 108.58 5.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 p -104.62 107.99 19.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.007 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.39 -168.85 18.41 Favored Glycine 0 N--CA 1.42 -2.381 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.799 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -70.5 150.11 46.49 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 124.194 0.997 . . . . 0.0 111.528 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.9 t -108.49 111.37 23.2 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.55 32.13 3.12 Favored Glycine 0 N--CA 1.431 -1.694 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m -152.39 104.94 2.97 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 m -67.17 -52.48 40.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.4 m -63.52 -40.11 96.2 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.402 0.144 . . . . 0.0 111.303 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.3 -36.59 84.61 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.57 -44.81 85.59 Favored 'General case' 0 C--O 1.251 1.142 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.9 m -59.34 -53.35 59.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.135 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -63.29 -39.65 95.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.679 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.1 tm0? -61.3 -52.49 64.47 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 122.577 0.351 . . . . 0.0 111.215 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.15 -28.45 54.18 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.399 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.86 -27.07 61.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.056 0.455 . . . . 0.0 109.905 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.84 -49.4 18.1 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.842 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 13.4 mmm180 -66.22 -55.8 14.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.519 -177.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -116.37 -172.16 2.13 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.998 0.427 . . . . 0.0 110.323 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -103.69 91.0 3.83 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -128.96 109.24 11.07 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.771 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.36 64.64 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.824 -176.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.11 8.61 38.68 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.86 -106.27 1.05 Allowed Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.226 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.93 167.45 35.99 Favored Glycine 0 N--CA 1.42 -2.392 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . . . -149.18 175.39 11.42 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.68 123.94 28.6 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.8 t60 -134.11 149.24 51.08 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 77.6 t80 -90.39 134.06 34.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.257 1.027 . . . . 0.0 112.786 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -151.27 155.28 38.44 Favored 'General case' 0 C--N 1.275 -2.632 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 168.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 85.8 t80 -61.49 140.38 94.89 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 69.7 Cg_endo -94.06 -6.16 35.88 Favored 'Cis proline' 0 CA--C 1.539 0.732 0 N-CA-C 115.799 1.423 . . . . 0.0 115.799 4.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -160.17 162.04 33.77 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 64.0 t -58.62 116.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 O-C-N 123.96 0.788 . . . . 0.0 108.928 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -123.45 172.1 8.97 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.9 t -74.91 121.37 21.78 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.32 0.648 . . . . 0.0 109.647 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 m-85 -120.47 122.77 41.39 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.687 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -75.45 136.59 40.68 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.546 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HE2' ' HB3' ' A' ' 38' ' ' ALA . 68.4 mttm -106.85 107.34 18.32 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.854 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 10.6 ptm180 -104.02 158.14 16.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.817 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -78.58 121.47 24.67 Favored 'General case' 0 N--CA 1.419 -2.005 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.276 -2.621 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.426 178.101 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 CA--C 1.493 -1.212 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.49 68.74 0.91 Allowed Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 p -121.07 148.73 24.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -93.99 147.24 23.31 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 174.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 61.1 mt -118.14 139.33 51.42 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.936 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -107.17 131.9 53.63 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.67 115.88 26.52 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.56 144.77 34.84 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.96 123.89 14.73 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.561 2.174 . . . . 0.0 111.512 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t -80.9 131.8 35.38 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.81 -27.28 35.2 Favored Glycine 0 N--CA 1.434 -1.471 0 C-N-CA 120.164 -1.017 . . . . 0.0 110.613 176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.5 p -69.0 -29.24 67.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.108 0.48 . . . . 0.0 112.127 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -110.65 117.08 32.53 Favored 'General case' 0 N--CA 1.427 -1.616 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.358 -175.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -114.73 151.3 33.94 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.68 -155.08 30.23 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.68 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -76.29 132.99 40.15 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.247 0.546 . . . . 0.0 111.063 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.99 101.25 13.58 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.65 -50.31 0.91 Allowed Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.706 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -85.18 91.42 8.13 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-O 121.331 0.586 . . . . 0.0 110.064 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -60.95 -50.96 71.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.545 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.72 -31.95 72.93 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.87 0.366 . . . . 0.0 110.312 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.08 -38.39 75.7 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.35 -36.43 81.39 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.547 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.589 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.2 m -59.42 -51.56 69.37 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -60.28 -49.39 77.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.626 0.579 . . . . 0.0 110.356 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.88 -51.75 65.0 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.638 0.775 . . . . 0.0 111.777 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 44.1 t -69.22 -34.99 75.71 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.1 -29.73 66.77 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.704 0.764 . . . . 0.0 110.21 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.51 -50.92 8.82 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.265 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -87.09 -35.99 18.38 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -174.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 41.8 mm-40 -101.48 -173.0 2.26 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.887 0.375 . . . . 0.0 110.136 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -109.34 56.43 0.62 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 52' ' ' ARG . 78.3 m-85 -131.96 103.17 6.15 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.79 68.11 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 123.405 0.682 . . . . 0.0 112.771 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -90.77 -4.3 56.77 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 121.046 0.45 . . . . 0.0 111.379 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.3 -122.0 10.66 Favored Glycine 0 N--CA 1.422 -2.245 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.589 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.84 171.23 35.44 Favored Glycine 0 N--CA 1.415 -2.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 167.76 21.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.4 m -88.6 130.5 35.25 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.0 t-80 -143.97 135.38 25.83 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 67.7 t80 -77.09 132.47 38.89 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.378 0.608 . . . . 0.0 111.209 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -142.98 139.89 30.82 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 87.3 t80 -54.59 129.3 62.75 Favored Pre-proline 0 C--N 1.308 -1.198 0 CA-C-N 118.566 0.621 . . . . 0.0 110.611 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 43.1 Cg_endo -108.65 23.07 5.88 Favored 'Cis proline' 0 CA--C 1.553 1.446 0 N-CA-C 115.138 1.168 . . . . 0.0 115.138 2.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 p -151.02 161.88 41.89 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 96.1 t -72.1 104.35 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 174.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -106.1 165.26 11.35 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.6 131.15 45.79 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 41.2 m-85 -117.57 125.08 50.17 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.736 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.433 ' HA ' ' CA ' ' A' ' 37' ' ' GLY . 99.3 m -77.84 133.84 38.1 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -99.05 105.91 18.08 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.4 ptm180 -94.48 154.38 17.45 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.66 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.45 125.53 27.06 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.819 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.3 -1.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.081 176.365 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.87 22.02 0.16 Allowed Glycine 0 N--CA 1.433 -1.505 0 C-N-CA 119.267 -1.444 . . . . 0.0 113.242 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.17 129.37 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.117 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -82.18 124.73 30.15 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.283 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt -113.85 136.15 53.19 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.751 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.2 m -107.08 150.49 26.49 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.276 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.45 120.88 31.93 Favored 'General case' 0 CA--C 1.498 -1.045 0 O-C-N 123.398 0.436 . . . . 0.0 110.294 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.44 136.48 27.2 Favored Pre-proline 0 C--N 1.3 -1.56 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.391 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -65.05 126.88 17.28 Favored 'Trans proline' 0 C--O 1.242 0.722 0 C-N-CA 122.213 1.942 . . . . 0.0 111.423 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' OG ' ' HB3' ' A' ' 13' ' ' TRP . 23.7 p -70.48 140.69 51.97 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.532 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.28 -35.53 6.6 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.23 -23.32 51.34 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.411 ' HB3' ' OG ' ' A' ' 10' ' ' SER . 13.9 t-105 -86.44 124.81 33.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -127.7 140.29 52.17 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.72 -149.66 16.64 Favored Glycine 0 N--CA 1.426 -1.971 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -93.28 143.6 26.11 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.751 0.82 . . . . 0.0 109.086 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.27 100.88 12.6 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.98 23.09 8.35 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 t -148.79 106.07 3.63 Favored 'General case' 0 N--CA 1.419 -1.994 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -71.66 -31.06 66.41 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.633 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 p -80.01 -41.33 26.02 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.081 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.65 -26.78 60.92 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.27 -51.62 69.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 173.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m -59.28 -51.75 68.6 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-O 121.108 0.48 . . . . 0.0 110.645 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.71 -55.46 34.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.868 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.4 -37.65 88.09 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.585 0.231 . . . . 0.0 110.497 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.6 t -54.92 -60.96 2.66 Favored 'General case' 0 C--O 1.299 3.691 0 C-N-CA 123.367 0.667 . . . . 0.0 110.804 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 48.0 mtmt -62.33 -50.58 71.06 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.728 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.27 -46.35 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.187 0.929 . . . . 0.0 112.337 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -70.17 -67.21 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -177.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -171.47 22.6 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 117.636 -1.625 . . . . 0.0 114.518 -170.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 70.7 m80 -106.52 -112.92 0.27 Allowed 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.374 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 73.1 m-85 -133.87 153.75 51.53 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.043 -171.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -14.53 61.36 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.501 1.12 . . . . 0.0 112.032 -177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 90.7 m-85 -85.55 -1.58 57.25 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.956 0.408 . . . . 0.0 111.055 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.75 -146.35 38.34 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.107 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.41 169.21 41.84 Favored Glycine 0 N--CA 1.414 -2.778 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.97 27.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.3 m -78.4 119.78 22.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 49.0 t-80 -129.52 129.95 45.17 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 49.5 t80 -68.87 140.88 55.19 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.603 0.716 . . . . 0.0 112.43 -176.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -154.07 151.44 29.31 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 75.7 t80 -64.51 137.66 97.2 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 75.0 Cg_endo -101.8 7.81 18.09 Favored 'Cis proline' 0 CA--C 1.553 1.45 0 C-N-CA 124.42 -1.075 . . . . 0.0 114.04 0.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -160.11 152.13 20.39 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.592 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.2 p -58.51 127.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 O-C-N 123.896 0.747 . . . . 0.0 111.518 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -113.43 164.79 13.15 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.461 -173.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.42 113.55 20.25 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.7 m-85 -107.87 119.69 40.16 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.23 0.538 . . . . 0.0 109.876 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.1 m -85.17 149.01 25.82 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.112 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 48.7 mmtm -95.0 107.24 19.28 Favored 'General case' 0 N--CA 1.421 -1.902 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.246 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 10.4 ptm180 -95.52 155.94 16.53 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.0 131.97 34.4 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.5 m . . . . . 0 C--N 1.283 -2.284 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.704 177.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.491 -1.295 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.19 -57.32 3.21 Favored Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 p -92.34 142.48 13.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 11.1 mptt -93.6 103.38 15.56 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.282 0.563 . . . . 0.0 110.079 -175.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 48.3 mt -103.63 132.4 49.91 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.4 m -104.02 128.6 51.61 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.02 118.66 19.02 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.08 125.94 29.32 Favored Pre-proline 0 C--N 1.31 -1.139 0 C-N-CA 124.328 1.051 . . . . 0.0 109.449 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.38 125.43 15.05 Favored 'Trans proline' 0 C--O 1.245 0.849 0 C-N-CA 122.124 1.882 . . . . 0.0 111.499 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -81.14 108.1 14.5 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.67 -13.39 71.56 Favored Glycine 0 C--O 1.239 0.431 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.967 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.9 p -81.92 -14.17 56.5 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.001 0.429 . . . . 0.0 111.32 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -93.68 140.3 29.8 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -135.03 141.0 46.07 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.24 -157.93 25.25 Favored Glycine 0 N--CA 1.428 -1.87 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.208 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -83.54 123.71 30.02 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 123.367 0.667 . . . . 0.0 110.226 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.18 102.13 12.37 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.55 16.07 19.45 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -146.47 104.79 3.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 23' ' ' CYS . 50.7 m -77.25 -22.24 52.46 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.069 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.5 p -71.91 -41.14 68.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.127 0.489 . . . . 0.0 110.057 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -71.35 -35.98 71.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 29.3 t -56.69 -55.96 27.44 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.786 0.678 . . . . 0.0 110.05 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 8.5 p -60.33 -46.74 88.84 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.21 -43.55 97.81 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 32.9 tt0 -64.61 -45.9 84.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 t -53.83 -53.14 56.63 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.282 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -63.66 -34.43 77.83 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.144 0.578 . . . . 0.0 111.625 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.39 -35.44 63.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.108 0.48 . . . . 0.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 4.8 mmp_? -69.25 -54.14 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.111 176.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -139.73 150.43 44.81 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 75.9 10.11 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -92.46 108.23 19.81 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.193 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.58 70.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 123.45 0.7 . . . . 0.0 111.539 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.58 1.98 56.52 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.088 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -135.93 41.47 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 116.238 -0.437 . . . . 0.0 113.215 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -168.26 167.18 40.04 Favored Glycine 0 N--CA 1.422 -2.235 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.29 168.12 23.38 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.78 135.85 38.98 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.606 0.241 . . . . 0.0 110.526 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.623 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 19.4 t60 -144.39 140.5 29.07 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.518 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 3.4 t80 -89.21 114.97 26.35 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -114.38 -88.76 0.56 Allowed 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.982 173.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 86.7 t80 -159.0 130.22 3.85 Favored Pre-proline 0 C--N 1.278 -2.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.995 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 88.3 Cg_endo -96.28 1.01 40.16 Favored 'Cis proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.977 -1.26 . . . . 0.0 111.609 -3.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -134.56 179.9 6.0 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 -173.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 39.5 t -75.15 117.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.42 167.65 11.73 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -81.43 124.66 29.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.623 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 29.6 m-85 -122.77 117.58 26.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.995 0.426 . . . . 0.0 111.433 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.34 143.5 33.51 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.41 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 92.7 mttt -99.75 100.93 11.95 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 16.4 ptm180 -84.09 143.65 29.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.174 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 5' ' ' LEU . 9.0 tt0 -83.15 95.41 8.09 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.115 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.1 m . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.272 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.489 -1.392 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.8 -155.12 16.3 Favored Glycine 0 N--CA 1.419 -2.444 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.0 m -87.21 123.55 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.736 0 CA-C-O 121.419 0.628 . . . . 0.0 110.813 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.11 135.41 33.79 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 mt -110.78 142.12 43.18 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.676 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 m -107.51 133.29 52.2 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 11.3 m-20 -83.57 110.62 18.39 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.222 0.535 . . . . 0.0 110.644 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.11 125.33 44.16 Favored Pre-proline 0 C--N 1.295 -1.761 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.8 112.58 1.53 Allowed 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.882 1.722 . . . . 0.0 109.927 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.9 m -67.52 108.84 2.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.286 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.96 -16.87 75.03 Favored Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 p -68.36 -40.42 81.49 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 114.463 -0.868 . . . . 0.0 110.004 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -98.7 99.43 10.54 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.597 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -107.57 109.34 20.96 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.87 -167.84 24.97 Favored Glycine 0 N--CA 1.427 -1.911 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -74.51 130.37 39.47 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 123.911 0.418 . . . . 0.0 110.244 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.67 97.15 8.78 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.0 -33.64 2.75 Favored Glycine 0 C--N 1.294 -1.782 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 m -85.66 93.77 8.92 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 114.937 -0.631 . . . . 0.0 109.926 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -65.85 -48.4 71.73 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.339 -0.846 . . . . 0.0 113.022 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -66.31 -35.81 81.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 120.958 0.409 . . . . 0.0 110.159 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -64.86 -44.0 91.16 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.638 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.38 -48.45 74.28 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.356 0.662 . . . . 0.0 110.473 174.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.476 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.9 m -59.21 -52.88 63.76 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.92 -43.91 74.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -61.57 -45.05 95.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.1 -46.18 91.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.266 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -71.46 -22.87 61.76 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.041 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.04 -44.06 10.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.983 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -75.32 -47.39 27.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.047 0.451 . . . . 0.0 110.611 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -107.17 179.89 4.13 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -120.82 87.39 2.74 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.366 -1.734 . . . . 0.0 111.625 177.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.43 118.04 28.39 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.59 74.33 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.2 0.524 . . . . 0.0 111.836 -173.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -90.54 5.37 48.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.777 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 57.97 -126.96 43.86 Favored Glycine 0 N--CA 1.429 -1.824 0 CA-C-N 114.629 -1.169 . . . . 0.0 112.228 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.476 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -153.55 170.52 32.34 Favored Glycine 0 N--CA 1.407 -3.284 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.03 163.32 38.45 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.23 135.03 36.66 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.677 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.7 t60 -142.64 141.53 31.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -177.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -91.95 128.9 37.96 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.306 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -139.68 145.81 38.86 Favored 'General case' 0 C--N 1.279 -2.457 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 83.4 t80 -52.24 127.79 39.11 Favored Pre-proline 0 C--N 1.31 -1.137 0 CA-C-N 118.001 0.364 . . . . 0.0 110.589 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 56.2 Cg_endo -115.56 33.64 0.9 Allowed 'Cis proline' 0 CA--C 1.553 1.431 0 CA-C-N 118.912 0.647 . . . . 0.0 112.88 -2.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -150.12 153.22 36.01 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.157 -0.964 . . . . 0.0 112.612 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.8 106.5 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -114.91 167.47 10.76 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -84.52 130.57 34.73 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.677 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 51.6 m-85 -125.2 115.48 20.48 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.58 133.44 45.75 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.679 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -98.44 105.56 17.72 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.255 0.55 . . . . 0.0 111.29 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -89.36 149.7 22.89 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.468 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -80.92 113.8 19.37 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.367 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 CA--C 1.502 -0.874 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.79 -31.75 80.75 Favored Glycine 0 CA--C 1.504 -0.612 0 O-C-N 123.505 0.503 . . . . 0.0 112.142 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.461 HG11 ' HG3' ' A' ' 53' ' ' GLN . 74.5 t -76.24 130.51 36.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -76.03 123.22 25.41 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 51.3 mt -118.27 150.04 40.13 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.111 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.2 m -116.84 145.3 43.64 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -89.53 130.2 35.89 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.1 132.51 24.39 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.01 125.02 13.45 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 121.741 1.628 . . . . 0.0 111.056 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 t -84.17 114.28 21.68 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -19.27 78.6 Favored Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.769 -175.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -96.77 20.01 11.62 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 23' ' ' CYS . 61.7 t-105 -95.14 139.76 31.02 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -90.64 99.96 12.9 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.442 0.639 . . . . 0.0 111.937 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.85 -125.18 27.55 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -75.41 137.49 41.05 Favored 'General case' 0 C--N 1.313 -0.978 0 C-N-CA 124.158 0.983 . . . . 0.0 111.843 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 34.9 t -100.25 109.87 22.11 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.65 5.65 26.16 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.484 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -154.0 109.58 3.2 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -62.37 -29.39 70.44 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 m -74.8 -30.44 61.42 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.549 0.214 . . . . 0.0 110.86 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -70.31 -38.13 74.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 32.3 t -57.55 -54.0 51.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.11 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.2 p -60.15 -48.22 82.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -57.35 -50.73 72.02 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.542 0.527 . . . . 0.0 110.172 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.55 -42.96 81.81 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.127 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.679 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 43.7 t -55.13 -46.34 75.62 Favored 'General case' 0 C--O 1.277 2.518 0 C-N-CA 122.705 0.402 . . . . 0.0 111.121 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -64.15 -45.96 86.18 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.284 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.11 -35.42 78.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.545 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -69.9 -80.78 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.5 20.15 0.02 OUTLIER 'General case' 0 C--O 1.247 0.933 0 C-N-CA 118.106 -1.438 . . . . 0.0 114.146 -166.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.679 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 89.3 m-70 -117.05 -97.82 0.46 Allowed 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.5 m-85 -141.91 156.38 45.5 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -167.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.36 -14.23 62.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 123.197 0.599 . . . . 0.0 111.188 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -75.72 -18.07 59.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.0 -132.55 17.23 Favored Glycine 0 N--CA 1.428 -1.867 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.081 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 51' ' ' LYS . . . -168.12 -179.4 40.59 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.09 160.88 39.15 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -83.39 113.78 20.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 120.683 0.278 . . . . 0.0 110.504 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.669 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 63.1 t60 -119.72 138.87 53.04 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 114.54 12.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.289 0.566 . . . . 0.0 110.415 -175.097 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -109.32 152.78 24.82 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 68.2 t80 -88.29 130.51 45.62 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 79.8 Cg_endo -93.58 -6.92 35.96 Favored 'Cis proline' 0 CA--C 1.549 1.236 0 C-N-CA 123.84 -1.317 . . . . 0.0 115.018 2.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.2 p -129.87 143.35 50.76 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 45.5 t -52.75 126.23 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.358 1.063 . . . . 0.0 110.397 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.44 159.77 23.62 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.77 115.49 18.49 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 24.5 m-85 -106.76 110.48 22.67 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.3 m -74.71 149.14 39.96 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.253 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 32.3 mtpt -108.93 109.46 20.55 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.126 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ptm180 -87.75 153.22 21.52 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HG3' HG11 ' A' ' 3' ' ' VAL . 23.2 tt0 -78.9 125.93 30.02 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--N 1.292 -1.9 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.559 0.219 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.13 79.69 1.16 Allowed Glycine 0 CA--C 1.498 -1.02 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -119.73 130.22 74.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -85.4 127.87 34.52 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 51' ' ' LYS . 49.8 mt -112.27 160.21 17.87 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 m -126.04 142.94 51.3 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.83 122.19 28.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.066 0.46 . . . . 0.0 110.93 -177.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 50' ' ' CYS . 58.6 t -110.8 110.89 57.0 Favored Pre-proline 0 C--N 1.295 -1.789 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.13 118.75 5.65 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.059 1.839 . . . . 0.0 111.468 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -69.21 111.46 5.16 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.674 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.42 72.4 Favored Glycine 0 C--N 1.322 -0.21 0 O-C-N 123.25 0.344 . . . . 0.0 113.004 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -75.83 -21.07 57.64 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.457 ' HB2' HE22 ' A' ' 26' ' ' GLN . 2.1 t-105 -105.7 112.19 25.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -123.19 152.73 40.93 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.97 -109.18 2.99 Favored Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.825 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -131.31 130.26 42.53 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.36 99.23 11.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.11 38.47 2.75 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.573 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -153.05 96.71 2.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -61.12 -45.58 94.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.167 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 t -67.24 -40.03 86.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.025 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.61 -28.36 62.72 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.099 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.3 t -66.92 -44.44 80.69 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.2 m -61.38 -47.84 83.97 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.479 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.77 -50.35 68.68 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 123.954 0.902 . . . . 0.0 111.042 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.457 HE22 ' HB2' ' A' ' 13' ' ' TRP . 6.5 tt0 -57.19 -46.23 83.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.104 0.478 . . . . 0.0 110.741 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -65.93 -37.45 86.09 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.241 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -76.18 -21.72 56.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.532 . . . . 0.0 110.507 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.11 -54.16 5.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.218 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -75.3 -50.86 14.73 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.588 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -106.22 -170.63 1.76 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -128.74 87.55 2.59 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -128.61 115.61 18.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.64 -13.88 62.53 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.387 0.613 . . . . 0.0 111.133 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.25 -9.2 55.69 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.4 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.25 -127.4 14.45 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.121 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.73 158.73 28.02 Favored Glycine 0 N--CA 1.423 -2.233 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 -177.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.2 155.25 47.94 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 117.666 0.733 . . . . 0.0 110.668 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.8 m -73.02 113.14 9.71 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -128.62 128.15 43.63 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.351 -172.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.625 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 t80 -86.14 84.97 7.36 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -99.9 -70.1 0.74 Allowed 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.687 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 35.9 t80 -163.76 133.61 3.15 Favored Pre-proline 0 C--N 1.257 -3.446 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.371 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 6.2 Cg_endo -96.74 1.11 38.01 Favored 'Cis proline' 0 C--O 1.244 0.79 0 C-N-CA 124.778 -0.926 . . . . 0.0 110.617 -6.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -145.91 -179.99 7.08 Favored 'General case' 0 C--O 1.253 1.245 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.9 p -83.36 103.92 11.25 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.832 1.301 . . . . 0.0 110.086 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -118.65 171.05 8.46 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 113.417 -1.72 . . . . 0.0 107.362 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.85 124.99 29.55 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.6 115.47 20.87 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.89 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 57.1 m -73.25 146.85 45.13 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.173 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HB3' HD13 ' A' ' 5' ' ' LEU . 97.1 mttt -103.26 109.23 20.76 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.284 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -92.78 150.66 20.49 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -78.21 120.84 23.58 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.5 m . . . . . 0 C--N 1.298 -1.659 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.586 177.658 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.489 -1.391 0 CA-C-O 120.56 0.219 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.99 -26.62 48.45 Favored Glycine 0 N--CA 1.435 -1.419 0 O-C-N 123.964 0.79 . . . . 0.0 112.195 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.8 m -61.81 130.39 26.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-O 121.23 0.538 . . . . 0.0 110.651 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -89.91 139.79 30.25 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 42.3 mt -121.43 139.19 53.79 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 62.7 m -100.33 122.93 43.89 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.632 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 5.3 m-20 -81.3 99.81 8.85 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -95.34 121.71 61.27 Favored Pre-proline 0 C--N 1.301 -1.532 0 C-N-CA 123.046 0.538 . . . . 0.0 110.495 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -64.24 119.78 6.92 Favored 'Trans proline' 0 C--O 1.25 1.101 0 C-N-CA 122.387 2.058 . . . . 0.0 111.51 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 t -64.19 122.89 17.71 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.885 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.35 -35.54 29.41 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -72.86 -39.24 66.63 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.629 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.453 ' HE3' ' NE2' ' A' ' 26' ' ' GLN . 20.7 t-105 -73.58 114.51 11.9 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.89 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -131.58 148.83 52.65 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.742 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . 105.3 -109.4 3.24 Favored Glycine 0 N--CA 1.435 -1.397 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.556 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -131.34 155.9 46.44 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.95 108.11 7.24 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.93 -28.14 8.97 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -118.8 98.86 6.42 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -62.29 -27.15 68.83 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -72.34 -14.85 61.84 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.454 -0.779 . . . . 0.0 111.384 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -76.55 -42.5 42.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.6 p -74.91 -30.51 61.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.2 t -60.31 -46.43 89.89 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -62.35 -46.03 90.49 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.453 ' NE2' ' HE3' ' A' ' 13' ' ' TRP . 29.8 tt0 -51.08 -55.16 19.01 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.221 0.951 . . . . 0.0 110.577 176.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 90.4 m -66.25 -42.81 88.04 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -67.65 -24.27 65.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.202 0.456 . . . . 0.0 111.865 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -89.4 -58.99 2.33 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.517 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -74.19 -39.86 62.88 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.679 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.58 -172.69 2.09 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -103.22 27.24 7.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 98.2 m-85 -90.47 76.87 6.59 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.24 65.15 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.296 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 91.8 m-85 -85.99 -2.41 58.27 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.467 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 -157.7 37.23 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.184 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.25 169.25 34.81 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.21 150.82 43.19 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.9 m -102.43 137.56 40.51 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.013 0.435 . . . . 0.0 110.916 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -145.47 143.08 29.8 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 90.6 t80 -75.05 131.52 40.64 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.777 0.798 . . . . 0.0 111.068 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -137.56 148.65 46.08 Favored 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 88.6 t80 -63.21 132.25 95.04 Favored Pre-proline 0 C--N 1.286 -2.173 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.443 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 42.4 Cg_endo -105.86 12.85 9.25 Favored 'Cis proline' 0 CA--C 1.55 1.322 0 C-N-CA 124.751 -0.937 . . . . 0.0 114.498 -0.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 23.5 p -145.76 159.21 43.51 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.988 -0.445 . . . . 0.0 112.081 -173.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.0 t -73.84 113.07 11.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -104.69 143.38 33.17 Favored 'General case' 0 N--CA 1.419 -1.987 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -96.62 129.92 43.93 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.632 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 59.9 m-85 -111.06 107.81 17.32 Favored 'General case' 0 N--CA 1.411 -2.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.7 m -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.869 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 52.9 mtmt -92.45 121.83 34.3 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -107.92 149.74 27.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 170.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 35' ' ' TYR . 37.4 tt0 -75.39 126.91 31.97 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.288 -2.084 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.872 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.489 -1.368 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.1 23.76 13.5 Favored Glycine 0 C--N 1.311 -0.824 0 C-N-CA 121.432 -0.413 . . . . 0.0 112.16 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.34 134.53 23.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 C-N-CA 123.471 0.708 . . . . 0.0 110.147 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 3.4 mptp? -87.26 119.82 27.91 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 74.8 mt -106.63 130.4 54.39 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.784 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.84 141.08 30.47 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.052 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 51.0 m-20 -94.21 113.23 25.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.697 0.761 . . . . 0.0 111.025 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.2 t -102.38 115.65 64.16 Favored Pre-proline 0 C--N 1.297 -1.708 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.27 126.29 21.58 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.813 2.342 . . . . 0.0 111.794 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 m -76.55 123.05 25.49 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.61 -20.29 24.95 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -80.04 -8.95 59.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-O 121.723 0.773 . . . . 0.0 109.2 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -110.4 128.42 55.57 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -119.94 127.51 52.73 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.417 0.627 . . . . 0.0 111.983 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.88 -147.37 18.65 Favored Glycine 0 N--CA 1.425 -2.047 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.096 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -83.85 136.5 34.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.307 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.0 t -102.06 117.09 34.08 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.016 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.67 1.69 42.21 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.883 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 t -150.36 113.18 4.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 120.848 0.356 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -66.66 -27.28 67.54 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.075 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 t -76.06 -39.35 55.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.827 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.86 -48.7 80.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.49 -31.3 69.48 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.521 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.453 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 13.4 t -60.3 -49.73 76.44 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.16 -36.3 77.24 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.275 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -61.03 -53.19 60.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.692 0.282 . . . . 0.0 110.265 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.4 t -70.06 -36.65 75.14 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -177.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.59 -37.52 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.931 0.396 . . . . 0.0 111.018 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.87 -39.54 26.25 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -79.8 -43.64 22.09 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 120.683 0.277 . . . . 0.0 111.598 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.84 -165.4 1.07 Allowed 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.815 0.446 . . . . 0.0 110.459 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -102.33 21.32 15.26 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -87.99 102.11 14.42 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.689 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.47 72.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.161 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.03 7.72 45.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.476 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.62 -123.58 33.25 Favored Glycine 0 N--CA 1.433 -1.529 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.442 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.02 166.48 34.06 Favored Glycine 0 N--CA 1.414 -2.789 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.29 160.91 38.72 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.6 m -109.12 135.77 49.71 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.473 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -136.15 156.44 48.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -173.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -74.9 136.9 41.43 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 122.059 0.933 . . . . 0.0 112.461 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -150.0 141.11 23.03 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.4 136.22 96.67 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -94.85 -16.15 12.01 Favored 'Cis proline' 0 CA--C 1.549 1.249 0 C-N-CA 123.758 -1.351 . . . . 0.0 114.819 0.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -128.87 149.23 50.85 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.849 -0.532 . . . . 0.0 111.459 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.84 117.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 123.2 0.6 . . . . 0.0 109.857 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.86 163.6 14.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.372 -174.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.9 t -92.81 141.85 27.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 120.972 0.415 . . . . 0.0 110.341 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.502 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 82.8 m-85 -132.12 119.2 20.62 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 26.4 mtpp -109.53 107.1 17.09 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.962 -172.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 31.1 ptt85 -97.32 158.05 15.66 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.8 117.54 20.01 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.485 0.714 . . . . 0.0 110.775 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.293 -1.886 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.279 175.854 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.43 -42.42 6.96 Favored Glycine 0 N--CA 1.442 -0.919 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 176.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -85.61 139.56 17.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -81.01 116.59 21.04 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 47.4 mt -109.4 135.54 50.27 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 121.569 0.699 . . . . 0.0 109.608 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.5 m -106.07 132.23 52.4 Favored 'General case' 0 C--N 1.277 -2.563 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -76.81 109.03 10.26 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 50' ' ' CYS . 9.4 p -102.96 123.35 42.4 Favored Pre-proline 0 C--N 1.307 -1.262 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.53 117.61 3.84 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.933 2.422 . . . . 0.0 111.386 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -73.63 105.92 5.16 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.54 -23.65 77.56 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -67.91 -27.99 67.12 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 115.147 -0.526 . . . . 0.0 111.342 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -88.64 140.82 29.07 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 m -126.93 114.18 17.5 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.62 -154.7 17.91 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.453 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.435 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 54.1 t60 -77.03 133.39 39.12 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.297 0.639 . . . . 0.0 111.2 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 35.1 t -87.5 96.63 10.46 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.5 -35.67 3.26 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -94.39 98.05 10.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.105 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 14.7 m -62.51 -35.48 79.52 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 123.107 0.563 . . . . 0.0 111.14 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -69.19 -36.62 77.51 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -72.43 -36.22 68.52 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.287 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.5 t -51.78 -56.78 11.86 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.118 0.886 . . . . 0.0 110.388 176.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' A' ' 37' ' ' GLY . 8.6 p -66.6 -54.07 27.47 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.916 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -56.93 -44.41 82.44 Favored 'General case' 0 C--O 1.189 -2.097 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.735 -175.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.3 -52.16 64.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.426 ' HB2' ' ND1' ' A' ' 32' ' ' HIS . 26.7 p -74.27 -32.08 62.78 Favored 'General case' 0 C--O 1.261 1.697 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.318 -175.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.5 -43.29 81.24 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.387 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.38 -39.61 94.99 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 123.324 0.65 . . . . 0.0 109.658 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 15.6 tpp180 -61.29 -82.07 0.02 OUTLIER 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.075 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 28.7 mt-10 179.05 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.865 1.666 . . . . 0.0 108.999 -177.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' ND1' ' HB2' ' A' ' 27' ' ' CYS . 61.8 m80 -140.32 -96.29 0.15 Allowed 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.72 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -146.32 145.8 30.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -174.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -20.22 66.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.588 0.555 . . . . 0.0 111.582 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -67.98 -23.63 65.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.786 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.85 5.3 Favored Glycine 0 N--CA 1.423 -2.215 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.19 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 24' ' ' SER . . . -176.14 -176.78 44.63 Favored Glycine 0 N--CA 1.417 -2.578 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.631 -176.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.4 163.11 39.69 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.44 127.85 34.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.643 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 74.7 t60 -141.7 144.44 34.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.6 t80 -86.92 125.72 34.22 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.673 -0.642 . . . . 0.0 111.69 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -133.3 -84.81 0.45 Allowed 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.024 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 67.9 t80 -158.77 136.15 7.05 Favored Pre-proline 0 C--N 1.274 -2.693 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.153 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 1.8 Cg_endo -89.17 -10.51 39.33 Favored 'Cis proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.702 -1.374 . . . . 0.0 110.556 -4.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 m -131.53 -178.49 4.88 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.646 -174.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 58.2 t -55.84 122.85 5.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 171.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -116.32 159.75 21.47 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -173.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -84.09 132.61 34.69 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.643 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.9 m-85 -125.56 117.32 23.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.458 ' O ' HG12 ' A' ' 8' ' ' VAL . 32.8 m -78.92 144.08 35.2 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.1 mttt -95.59 107.54 19.73 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.315 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -88.15 141.18 28.77 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.018 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -73.46 115.8 13.27 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.794 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 C--N 1.295 -1.782 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.226 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 CA--C 1.506 -0.714 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.26 -70.02 2.87 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 112.285 -0.326 . . . . 0.0 112.285 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 p -89.7 141.95 13.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.5 mptt -95.35 122.93 38.57 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.4 mt -114.01 162.16 16.79 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.387 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.2 117.4 24.52 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.33 103.4 4.71 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.041 0.448 . . . . 0.0 110.302 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -103.59 118.59 57.15 Favored Pre-proline 0 C--N 1.311 -1.096 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.63 130.4 23.39 Favored 'Trans proline' 0 C--O 1.246 0.89 0 C-N-CA 122.477 2.118 . . . . 0.0 111.834 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m -98.85 132.97 43.79 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-O 121.141 0.496 . . . . 0.0 111.73 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.66 -7.65 74.86 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 p -76.46 -24.8 53.87 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.899 0.88 . . . . 0.0 110.44 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t-105 -91.46 135.41 33.86 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -101.09 112.83 25.4 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.87 -126.79 7.69 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -84.18 145.04 28.58 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 124.249 1.019 . . . . 0.0 112.172 -170.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 49.8 t -112.2 107.52 16.44 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.41 -32.94 2.61 Favored Glycine 0 C--N 1.302 -1.356 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -99.29 104.37 16.28 Favored 'General case' 0 N--CA 1.416 -2.164 0 CA-C-O 121.568 0.699 . . . . 0.0 110.559 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 m -70.31 -33.65 71.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.334 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -69.67 -40.18 76.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.64 -40.44 84.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.422 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.4 t -52.63 -56.37 15.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.178 0.924 . . . . 0.0 110.073 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.579 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 4.3 p -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.64 -46.39 89.14 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.44 -45.45 76.02 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.179 0.445 . . . . 0.0 111.061 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.7 t -67.4 -44.27 79.26 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-O 121.843 0.83 . . . . 0.0 110.529 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -75.39 -21.59 58.14 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.56 -36.06 45.09 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 31' ' ' GLU . 21.3 tpp180 -65.6 -70.81 0.22 Allowed 'General case' 0 N--CA 1.411 -2.414 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.916 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 10.6 pt-20 -178.42 12.28 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.276 51.6 m-70 -89.84 -94.08 0.12 Allowed 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -166.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -143.18 163.43 32.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.523 0.602 . . . . 0.0 110.683 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.26 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.316 0.579 . . . . 0.0 110.477 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.31 20.08 12.13 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 24' ' ' SER . . . -71.24 69.64 0.85 Allowed Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 24' ' ' SER . . . 153.06 121.5 0.86 Allowed Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.312 -0.947 . . . . 0.0 114.205 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.37 144.16 22.73 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.3 m -76.1 120.65 21.7 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.613 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.7 t-160 -129.64 131.69 46.51 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 86.6 t80 -66.53 132.04 47.35 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.829 0.823 . . . . 0.0 111.677 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -132.97 157.27 45.59 Favored 'General case' 0 C--N 1.278 -2.515 0 N-CA-C 104.671 -2.344 . . . . 0.0 104.671 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 64.2 t80 -82.82 131.69 53.69 Favored Pre-proline 0 C--N 1.282 -2.342 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 66.4 Cg_endo -100.16 2.28 23.46 Favored 'Cis proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.357 -1.101 . . . . 0.0 113.463 -1.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -129.13 149.28 51.01 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -174.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 57.5 t -67.27 122.55 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -123.58 166.99 14.51 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.44 110.97 18.61 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 123.628 0.771 . . . . 0.0 110.089 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 6.6 m-85 -107.36 123.84 48.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.81 112.37 24.1 Favored 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.429 -177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -73.24 119.46 17.51 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.378 -176.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -95.11 155.12 16.86 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -82.12 130.81 35.19 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.294 -1.815 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.61 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 CA--C 1.503 -0.829 0 CA-C-O 121.24 0.543 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.92 40.81 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -94.92 142.43 13.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 120.786 0.327 . . . . 0.0 110.221 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -81.15 108.25 14.65 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 61.3 mt -97.14 145.96 25.51 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.332 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -117.16 139.53 50.64 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.097 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -83.9 110.38 18.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.599 0.562 . . . . 0.0 111.013 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.25 121.87 39.24 Favored Pre-proline 0 C--N 1.301 -1.51 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 122.25 11.15 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.388 2.058 . . . . 0.0 111.436 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -67.38 104.0 1.42 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.475 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.16 -23.23 78.02 Favored Glycine 0 CA--C 1.504 -0.623 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -94.55 14.85 19.57 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.221 0.534 . . . . 0.0 110.979 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.51 ' CE3' ' HA ' ' A' ' 23' ' ' CYS . 73.8 t-105 -111.37 133.61 53.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -91.83 102.19 14.79 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.153 0.501 . . . . 0.0 112.18 -175.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.98 -123.68 18.78 Favored Glycine 0 C--O 1.245 0.806 0 N-CA-C 116.294 1.278 . . . . 0.0 116.294 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.52 131.85 46.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.726 0.81 . . . . 0.0 112.428 -173.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.68 98.07 11.19 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.57 -43.03 2.79 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 119.9 -1.143 . . . . 0.0 110.304 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -103.45 109.43 21.07 Favored 'General case' 0 N--CA 1.423 -1.808 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -62.18 -37.06 83.84 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.161 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 t -68.75 -40.4 79.8 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.15 0.5 . . . . 0.0 110.542 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.76 -38.11 67.46 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.781 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.7 p -65.92 -43.63 87.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.741 -0.784 . . . . 0.0 110.068 -177.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -65.19 -51.08 63.26 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.159 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -59.73 -43.52 94.16 Favored 'General case' 0 C--O 1.212 -0.901 0 O-C-N 123.558 0.536 . . . . 0.0 111.12 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -66.84 -46.18 75.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.005 0.431 . . . . 0.0 110.835 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.0 t -56.52 -51.11 69.76 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 124.296 1.038 . . . . 0.0 109.846 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -60.97 -54.93 38.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 126.433 1.893 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.73 -37.27 75.8 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 123.896 0.879 . . . . 0.0 111.721 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -75.91 -73.72 0.25 Allowed 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -157.4 29.25 0.29 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 118.971 0.805 . . . . 0.0 113.039 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.297 79.1 m80 -118.66 -109.68 0.35 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -137.28 150.65 47.95 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.165 -170.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -3.06 28.24 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 112.151 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.1 -10.25 50.67 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.455 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -138.47 33.47 Favored Glycine 0 N--CA 1.434 -1.457 0 C-N-CA 120.487 -0.864 . . . . 0.0 111.555 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.84 -172.88 38.23 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.62 168.15 24.38 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.6 m -83.12 129.22 35.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.51 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 65.7 t-80 -134.4 144.29 48.1 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 57.3 t80 -80.12 134.82 36.2 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.536 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -145.67 161.36 40.05 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.22 135.56 79.5 Favored Pre-proline 0 C--N 1.286 -2.165 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -108.2 22.35 6.49 Favored 'Cis proline' 0 CA--C 1.55 1.303 0 CA-C-N 119.633 0.905 . . . . 0.0 113.251 -0.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -159.25 157.23 30.24 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.3 t -66.65 118.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -123.42 165.56 16.84 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.8 t -91.56 139.62 30.52 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.704 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 31.0 m-85 -125.21 120.23 30.71 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.354 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -90.71 143.83 26.34 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.196 0.522 . . . . 0.0 111.375 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 54.6 mtmt -93.79 117.27 29.87 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.428 -172.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 5.0 ptm180 -104.82 151.29 23.98 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -77.51 117.58 19.1 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 123.593 0.558 . . . . 0.0 110.341 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.684 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp . . . . . 0 N--CA 1.44 -0.939 0 CA-C-O 120.886 0.374 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.64 140.35 43.58 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -110.19 124.57 51.82 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.426 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.07 107.07 12.57 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.03 138.67 19.73 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.604 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.18 142.17 59.94 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.444 2.096 . . . . 0.0 112.352 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -90.64 144.35 25.84 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.89 -19.61 19.09 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 p -75.53 -54.56 6.81 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 123.689 0.795 . . . . 0.0 110.765 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -79.51 135.85 36.74 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -146.36 157.95 43.84 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.56 -105.81 3.01 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.828 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -135.51 143.75 45.95 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 37.0 t -109.29 104.58 13.73 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.24 -20.53 12.19 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.078 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 p -127.06 115.15 18.75 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.33 0.586 . . . . 0.0 110.941 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 p -73.15 -23.1 60.41 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.0 p -68.89 -40.64 79.1 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.139 0.495 . . . . 0.0 110.259 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.05 -34.18 50.58 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 22.2 t -56.95 -51.15 70.32 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 123.486 0.492 . . . . 0.0 109.774 173.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -64.21 -41.28 97.11 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -59.84 -44.41 94.11 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.93 -48.37 78.43 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.496 0.498 . . . . 0.0 110.731 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.7 m -63.42 -40.5 97.35 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.92 -32.0 65.01 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.301 0.572 . . . . 0.0 110.78 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.93 -47.67 18.09 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.267 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -73.37 -46.55 48.4 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.161 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.7 -167.35 1.85 Allowed 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.27 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -91.05 26.51 2.12 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.274 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -88.32 78.57 7.96 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.99 63.64 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.465 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 53' ' ' GLN . 88.5 m-85 -85.6 -1.71 57.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.056 0.455 . . . . 0.0 110.779 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.5 -131.32 10.29 Favored Glycine 0 N--CA 1.424 -2.154 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.421 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.6 173.13 45.52 Favored Glycine 0 N--CA 1.419 -2.439 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.09 163.3 33.97 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.42 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 75.2 m -87.3 114.17 23.67 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.635 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 44.8 t60 -119.51 139.89 51.36 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 44.2 t80 -80.71 128.94 34.21 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 121.501 0.667 . . . . 0.0 110.399 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -138.49 166.41 24.36 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 53.1 t80 -78.01 133.29 65.53 Favored Pre-proline 0 C--N 1.292 -1.924 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 Cg_endo -101.41 3.9 19.33 Favored 'Cis proline' 0 CA--C 1.554 1.482 0 N-CA-C 114.681 0.993 . . . . 0.0 114.681 0.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.5 m -145.59 167.78 22.24 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.443 -0.786 . . . . 0.0 112.266 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.2 t -66.86 119.37 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -119.79 161.83 20.12 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.19 126.21 31.81 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 18.7 m-85 -120.71 124.09 44.31 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.7 m -83.41 141.62 31.59 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.336 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.22 109.08 21.91 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.086 0.469 . . . . 0.0 110.833 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -99.35 160.36 14.33 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' HB2' ' CE2' ' A' ' 35' ' ' TYR . 40.2 tt0 -89.62 137.61 32.19 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.276 -2.598 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.542 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 CA--C 1.49 -1.35 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 53' ' ' GLN . 51.8 mt -118.31 141.32 48.64 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.93 120.83 41.84 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 22.7 m-20 -91.35 106.21 18.33 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -101.27 135.0 19.98 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.2 120.24 7.62 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.254 1.97 . . . . 0.0 112.048 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -78.96 116.28 19.18 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.91 73.54 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.291 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -8.59 56.76 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.458 ' HB2' ' OE1' ' A' ' 26' ' ' GLN . 25.0 t-105 -100.75 124.65 46.68 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 t -125.09 141.21 52.26 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.57 -164.45 29.19 Favored Glycine 0 N--CA 1.433 -1.507 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -72.3 146.22 47.33 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 123.276 0.63 . . . . 0.0 110.37 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 t -109.74 100.11 9.17 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.34 -46.72 1.39 Allowed Glycine 0 N--CA 1.439 -1.146 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -83.01 102.59 11.85 Favored 'General case' 0 N--CA 1.424 -1.756 0 CA-C-O 121.112 0.482 . . . . 0.0 110.092 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -65.32 -30.61 71.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.106 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 m -73.34 -27.07 61.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.808 0.337 . . . . 0.0 111.352 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -74.98 -34.6 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.05 -48.04 75.21 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.985 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.442 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 12.7 p -64.12 -40.79 96.95 Favored 'General case' 0 N--CA 1.434 -1.245 0 O-C-N 122.23 -0.294 . . . . 0.0 111.16 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.05 -44.69 97.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.458 ' OE1' ' HB2' ' A' ' 13' ' ' TRP . 36.1 tt0 -59.18 -52.42 65.79 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.619 0.574 . . . . 0.0 110.604 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -66.14 -32.28 73.63 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -71.12 -31.61 67.97 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.684 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -81.05 -48.4 12.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.672 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -72.74 -46.98 50.71 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.399 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -103.05 -168.22 1.49 Allowed 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -177.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -114.7 24.17 12.04 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -93.74 116.3 28.78 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 121.172 0.51 . . . . 0.0 111.591 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.31 73.76 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.834 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -71.35 -13.25 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.229 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.77 9.85 Favored Glycine 0 N--CA 1.436 -1.362 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.87 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -163.47 161.28 33.97 Favored Glycine 0 N--CA 1.422 -2.246 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.63 162.17 35.74 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.3 m -90.68 128.13 36.54 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.591 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 41.6 t-80 -139.94 151.69 45.76 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -82.35 139.29 34.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.37 0.605 . . . . 0.0 110.803 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -151.96 164.7 36.6 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 58.7 t80 -67.65 130.37 93.13 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 59.6 Cg_endo -111.48 23.4 3.04 Favored 'Cis proline' 0 CA--C 1.555 1.569 0 C-N-CA 125.079 -0.8 . . . . 0.0 113.746 -1.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 t -159.98 164.64 33.14 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -174.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 50.0 t -68.92 117.32 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -116.27 167.36 11.09 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.3 129.16 36.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 85.3 m-85 -124.3 118.6 27.14 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.4 m -71.85 126.32 29.44 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 124.235 0.96 . . . . 0.0 108.988 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 26.6 mtpp -95.97 104.9 16.86 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -97.96 147.43 24.49 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HA ' HD23 ' A' ' 5' ' ' LEU . 63.3 tt0 -80.26 121.55 25.78 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 C--O 1.265 1.871 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.324 -179.327 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? . . . . . 0 CA--C 1.496 -1.121 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 47.9 mt -118.08 133.81 55.56 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.34 140.13 38.92 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.445 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -78.95 122.98 26.83 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 123.749 0.656 . . . . 0.0 111.236 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -118.1 116.93 35.56 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -48.84 132.83 27.13 Favored 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.16 2.574 . . . . 0.0 112.179 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -80.1 106.96 12.51 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.82 50.46 3.62 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.355 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 30' ' ' ARG . 7.8 p -152.33 -58.25 0.14 Allowed 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.493 1.117 . . . . 0.0 109.002 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -63.67 123.88 19.98 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.515 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 m -125.57 124.91 42.3 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.83 -154.18 16.76 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -83.22 139.95 32.82 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.088 0.555 . . . . 0.0 110.298 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 16.6 t -97.15 100.31 11.79 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.04 8.36 27.25 Favored Glycine 0 N--CA 1.438 -1.21 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.88 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -135.52 102.59 5.17 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -69.04 -31.81 70.87 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 m -70.29 -40.79 74.08 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.15 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -78.07 -32.9 50.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.409 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 31.1 t -57.72 -49.18 77.38 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.339 0.59 . . . . 0.0 110.005 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 13.5 p -68.22 -47.74 67.02 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.298 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -52.91 -52.28 58.25 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.289 0.635 . . . . 0.0 111.393 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -62.74 -40.18 96.4 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.378 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.207 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -67.73 -27.29 66.67 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.389 0.614 . . . . 0.0 110.185 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -83.64 -51.73 7.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.578 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 12' ' ' THR . 13.9 mmt85 -82.28 -44.9 15.69 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.047 0.451 . . . . 0.0 112.024 -174.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -99.36 -166.55 1.36 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -128.52 78.15 1.82 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.449 0.643 . . . . 0.0 109.705 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.26 114.64 14.01 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.628 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.63 81.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.274 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.89 -11.37 59.99 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.272 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.72 -110.21 3.08 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.968 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -172.84 179.57 44.22 Favored Glycine 0 N--CA 1.417 -2.58 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -176.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.9 164.86 37.7 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.7 m -92.41 121.76 34.2 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -138.67 148.81 44.46 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -79.79 133.75 36.32 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.271 0.557 . . . . 0.0 111.071 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -137.86 -76.4 0.39 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.401 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 62.1 t80 -175.07 137.45 0.56 Allowed Pre-proline 0 C--N 1.272 -2.773 0 CA-C-N 114.035 -1.439 . . . . 0.0 107.313 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 44.0 Cg_endo -93.94 8.95 53.66 Favored 'Cis proline' 0 CA--C 1.535 0.571 0 C-N-CA 124.072 -1.22 . . . . 0.0 111.057 -3.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -155.84 -179.3 8.0 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.7 t -61.88 121.33 9.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -119.5 164.18 16.18 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.12 121.07 31.08 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.94 128.51 50.37 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.97 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.9 m -75.71 143.03 42.31 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.39 112.26 24.9 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.239 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 13.4 ptm180 -98.96 148.56 23.86 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.302 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -76.3 119.56 20.35 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 123.867 0.729 . . . . 0.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 C--N 1.29 -2.011 0 CA-C-O 118.11 -0.948 . . . . 0.0 109.37 178.735 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 mptt . . . . . 0 CA--C 1.503 -0.864 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 78.7 mt -103.77 134.79 46.49 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.664 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.4 131.54 50.4 Favored 'General case' 0 C--N 1.279 -2.464 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.92 103.13 9.6 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.57 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.66 117.16 67.48 Favored Pre-proline 0 C--N 1.304 -1.387 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.25 116.16 3.21 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.402 2.068 . . . . 0.0 111.295 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.445 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 40.3 t -70.13 119.25 14.05 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.76 -16.89 57.61 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.0 p -80.23 -27.76 38.69 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-O 121.386 0.613 . . . . 0.0 111.119 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -85.35 128.74 34.81 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -102.3 112.48 25.2 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.14 -141.05 21.23 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 114.687 0.635 . . . . 0.0 114.687 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 71.7 t60 -65.9 135.34 54.66 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.491 1.117 . . . . 0.0 112.297 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.39 103.0 14.87 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.13 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.85 24.03 20.23 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.002 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -157.41 106.8 2.16 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.663 0.268 . . . . 0.0 110.334 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 -39.68 95.04 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -67.79 -40.33 83.96 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.651 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -76.58 -31.25 57.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.981 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.4 t -62.05 -48.8 78.62 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.517 0.675 . . . . 0.0 109.545 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 9.7 p -67.42 -43.18 81.87 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.535 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.03 -42.82 95.23 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.123 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.19 -59.53 4.43 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.494 0.318 . . . . 0.0 111.723 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.4 m -73.07 -26.52 61.3 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -77.28 -31.0 54.57 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.246 0.546 . . . . 0.0 110.62 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -84.68 -41.4 16.32 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -76.85 -54.71 6.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.175 0.512 . . . . 0.0 111.339 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -107.13 -164.2 0.97 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -112.0 38.47 2.66 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.231 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 33.7 m-85 -78.34 102.75 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.1 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.957 0.408 . . . . 0.0 111.847 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -89.55 -9.34 50.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.037 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.11 -89.99 0.34 Allowed Glycine 0 N--CA 1.429 -1.819 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.58 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . 172.99 174.89 40.43 Favored Glycine 0 N--CA 1.417 -2.577 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . . . -146.28 162.21 38.61 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -82.46 111.0 18.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.62 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.4 t-160 -113.98 144.8 42.49 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 64.6 t80 -73.62 137.3 44.12 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.501 0.667 . . . . 0.0 111.188 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.89 159.49 42.07 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 63.5 t80 -80.43 132.02 60.03 Favored Pre-proline 0 C--N 1.296 -1.758 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.862 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 86.5 Cg_endo -105.12 15.04 10.52 Favored 'Cis proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.882 -0.882 . . . . 0.0 111.76 -4.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -138.77 148.16 43.51 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 122.125 -0.359 . . . . 0.0 111.094 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' HIS . 98.3 t -61.62 125.36 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.384 -0.825 . . . . 0.0 108.832 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 10' ' ' SER . 84.8 tttt -123.74 164.97 18.08 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.25 125.55 30.45 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.62 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 36.5 m-85 -121.96 116.15 23.82 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.7 m -81.19 116.2 20.97 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 68.2 mttm -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.438 -174.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -98.93 155.58 17.33 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.996 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.74 123.56 26.84 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.286 -2.182 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.957 176.225 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.3 mptt . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.6 mt -124.19 150.96 44.61 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 m -118.33 143.94 46.24 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -85.1 109.7 18.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 123.621 0.576 . . . . 0.0 111.091 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.41 117.05 59.17 Favored Pre-proline 0 C--N 1.294 -1.81 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.63 112.3 1.57 Allowed 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.114 1.876 . . . . 0.0 111.574 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -70.74 113.18 7.57 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.505 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.0 78.34 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.74 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.43 HG23 HE21 ' A' ' 26' ' ' GLN . 7.1 t -77.69 -11.0 59.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 121.175 0.512 . . . . 0.0 110.15 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -106.91 106.88 17.63 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.0 t -112.36 138.55 48.93 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.81 -167.25 14.45 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -80.07 142.15 35.17 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 122.44 0.296 . . . . 0.0 110.237 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 32.7 t -103.77 102.95 12.78 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.2 -1.57 20.41 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.015 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -127.6 104.13 7.71 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 122.392 -0.476 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 p -63.56 -35.25 79.88 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -66.16 -36.58 83.48 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.649 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -79.99 -33.38 39.45 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.394 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 26.1 t -57.57 -50.65 72.41 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -66.41 -44.82 81.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.868 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.53 -57.15 12.5 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 123.15 0.58 . . . . 0.0 111.822 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.43 HE21 HG23 ' A' ' 12' ' ' THR . 29.8 tt0 -61.73 -39.85 93.01 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.38 0.425 . . . . 0.0 111.163 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.67 -40.81 88.75 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.022 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 56.7 mtmt -74.58 -23.69 58.79 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.417 0.627 . . . . 0.0 110.914 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.46 -46.72 30.83 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.365 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -84.52 -54.91 4.43 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.244 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.92 -179.74 4.03 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.261 0.553 . . . . 0.0 110.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -107.37 80.22 1.39 Allowed 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.606 0.717 . . . . 0.0 111.71 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 64.3 m-85 -116.26 106.14 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.588 176.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.23 69.09 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.348 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -97.75 -0.26 45.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.412 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.46 -118.74 11.29 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.947 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.98 174.03 44.11 Favored Glycine 0 N--CA 1.416 -2.655 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.83 161.21 43.03 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.41 128.92 34.71 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.641 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 34.0 t60 -137.08 148.27 46.63 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 80.2 t80 -74.5 133.9 42.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 122.272 1.034 . . . . 0.0 113.59 -176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -147.07 145.04 29.51 Favored 'General case' 0 N--CA 1.412 -2.358 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 63.2 t80 -69.1 139.36 90.19 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 73.6 Cg_endo -98.12 -0.45 29.76 Favored 'Cis proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.177 -1.176 . . . . 0.0 113.886 0.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 p -144.38 140.01 28.79 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 119.574 -0.251 . . . . 0.0 110.731 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 90.2 t -47.34 124.24 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.341 1.026 . . . . 0.0 110.464 176.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -115.4 168.73 9.73 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -173.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -85.59 125.1 32.86 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 55.1 m-85 -119.13 109.72 16.22 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-O 121.122 0.487 . . . . 0.0 111.017 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -67.4 140.03 57.16 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.046 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 5' ' ' LEU . 45.4 mmtm -101.56 113.41 26.52 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm85 -100.18 147.38 25.77 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.553 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -72.47 123.77 23.8 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.5 m . . . . . 0 C--N 1.283 -2.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm . . . . . 0 N--CA 1.432 -1.347 0 CA-C-O 121.438 0.637 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.45 133.23 44.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.183 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.98 128.26 38.78 Favored 'General case' 0 C--N 1.262 -3.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.175 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -89.54 127.0 35.82 Favored 'General case' 0 CA--C 1.481 -1.691 0 O-C-N 124.282 0.989 . . . . 0.0 109.75 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -121.38 140.36 31.26 Favored Pre-proline 0 C--N 1.282 -2.368 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -59.5 123.17 12.79 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.013 1.809 . . . . 0.0 109.462 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -64.76 112.0 3.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 121.116 0.484 . . . . 0.0 110.453 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.04 -1.73 88.0 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.819 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -108.56 -18.58 13.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -89.23 141.21 28.73 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -115.63 106.29 13.74 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.958 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.28 -144.65 18.05 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 115.478 0.951 . . . . 0.0 115.478 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.12 137.15 56.84 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 124.953 1.301 . . . . 0.0 111.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 t -100.57 100.69 11.46 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.27 13.43 18.93 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -136.91 94.05 2.92 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 m -64.12 -50.13 69.48 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.926 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -65.59 -35.17 80.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.953 0.406 . . . . 0.0 110.44 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -66.11 -43.83 86.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.252 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.5 t -57.14 -45.01 83.93 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 123.707 0.629 . . . . 0.0 109.978 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.451 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 14.8 m -60.05 -54.63 43.7 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.797 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -68.06 -44.67 75.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.2 m -65.39 -40.24 93.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.675 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -70.67 -23.31 62.48 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.642 0.734 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.11 -50.44 16.36 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.418 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -67.37 -57.55 6.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 41.2 mt-10 -120.82 176.45 5.53 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -86.82 76.65 9.42 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.956 0.884 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 79.1 m-85 -99.28 105.38 17.38 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.403 174.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -26.2 66.42 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 123.572 0.545 . . . . 0.0 112.244 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.03 10.86 17.58 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.084 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.62 -101.75 0.49 Allowed Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.307 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -175.73 168.01 40.13 Favored Glycine 0 N--CA 1.422 -2.251 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.75 156.37 45.59 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 117.145 0.473 . . . . 0.0 109.906 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.6 m -76.8 119.93 21.26 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 30.8 t-80 -131.13 127.16 37.52 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.379 0.609 . . . . 0.0 110.747 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.8 t80 -85.91 115.7 23.69 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -130.98 -69.28 0.64 Allowed 'General case' 0 C--N 1.287 -2.11 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.183 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 72.4 t80 -165.1 130.98 2.08 Favored Pre-proline 0 C--N 1.267 -2.996 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.396 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 27.7 Cg_endo -97.71 7.76 35.4 Favored 'Cis proline' 0 CA--C 1.534 0.518 0 C-N-CA 124.693 -0.961 . . . . 0.0 110.374 -5.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.8 m -150.95 -179.39 7.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.7 p -86.88 115.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.968 0.89 . . . . 0.0 110.855 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -122.05 165.04 16.66 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.116 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 t -78.24 125.14 28.93 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 64.1 m-85 -119.53 115.26 23.67 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.0 m -75.1 140.48 43.47 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -116.94 114.63 24.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -110.7 148.07 33.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.102 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.81 132.4 45.25 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.302 -1.49 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.358 174.41 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.243 0.747 0 CA-C-O 120.854 0.359 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 53' ' ' GLN . 68.0 mt -125.9 143.24 51.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.0 m -110.79 129.97 55.7 Favored 'General case' 0 C--N 1.279 -2.484 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -88.66 107.41 18.92 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 30.6 m -102.35 134.83 19.76 Favored Pre-proline 0 C--N 1.306 -1.299 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.633 -177.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 21.9 Cg_exo -61.96 119.6 6.79 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.472 2.115 . . . . 0.0 112.067 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 m -79.01 113.41 17.11 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.903 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 -17.34 79.32 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 111.828 -0.509 . . . . 0.0 111.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -72.33 -22.62 61.15 Favored 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.025 0.93 . . . . 0.0 110.947 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -98.24 135.94 39.15 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -133.5 122.15 23.21 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -169.48 12.95 Favored Glycine 0 N--CA 1.421 -2.352 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.353 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -71.55 136.24 47.39 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 123.389 0.676 . . . . 0.0 110.775 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.8 t -90.23 99.88 12.81 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.17 -38.68 3.98 Favored Glycine 0 N--CA 1.427 -1.953 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.544 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.4 t -106.52 109.42 21.33 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 120.883 0.373 . . . . 0.0 110.059 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -64.62 -31.9 73.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.675 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 t -67.19 -40.7 86.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.486 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -72.38 -33.19 67.03 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.359 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.54 -47.43 85.58 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 123.318 0.386 . . . . 0.0 110.025 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 m -61.73 -48.9 78.63 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.848 0.356 . . . . 0.0 110.264 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.12 -43.58 91.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -58.32 -48.83 79.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.65 -44.23 96.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.617 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.66 -21.9 61.01 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.0 0.429 . . . . 0.0 111.6 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -85.7 -49.58 7.86 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.7 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 26' ' ' GLN . 10.1 mpt_? -78.02 -49.54 13.82 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -178.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.49 -165.64 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -128.54 90.09 3.0 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.27 108.89 7.45 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.6 67.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.501 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 96.9 m-85 -88.82 3.16 52.09 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -127.2 36.24 Favored Glycine 0 N--CA 1.437 -1.288 0 CA-C-N 115.681 -0.691 . . . . 0.0 113.151 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.78 163.55 37.12 Favored Glycine 0 N--CA 1.412 -2.957 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.21 162.1 36.51 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.95 115.29 16.61 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 18.1 t60 -120.86 132.09 54.79 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 59.2 t80 -66.06 132.65 49.02 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 121.643 0.735 . . . . 0.0 111.907 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -135.64 159.29 42.09 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 88.5 t80 -80.26 131.84 61.13 Favored Pre-proline 0 C--N 1.291 -1.968 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.509 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 43.9 Cg_endo -104.04 15.91 13.07 Favored 'Cis proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.829 -0.904 . . . . 0.0 112.601 -2.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 p -143.68 142.61 31.07 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.639 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.9 p -66.93 126.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.578 0.704 . . . . 0.0 110.975 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -124.05 165.89 16.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.333 -172.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.4 t -76.2 126.59 31.28 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 122.817 0.447 . . . . 0.0 110.038 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 10.4 m-85 -125.48 121.04 32.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.151 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.9 m -71.51 137.36 48.08 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 26.7 mtpp -96.7 103.43 15.35 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -93.99 149.38 21.28 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HA ' HD23 ' A' ' 5' ' ' LEU . 43.8 tt0 -82.32 122.1 27.53 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.9 m . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.72 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp . . . . . 0 N--CA 1.428 -1.563 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 58.4 mt -103.42 136.12 43.77 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.55 130.62 46.64 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.416 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.61 105.06 11.57 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.07 122.84 41.75 Favored Pre-proline 0 C--N 1.304 -1.41 0 C-N-CA 123.437 0.695 . . . . 0.0 109.81 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.74 114.08 1.84 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.486 2.124 . . . . 0.0 111.194 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -61.27 133.2 55.64 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 123.704 0.802 . . . . 0.0 110.806 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.2 -30.92 58.13 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.9 t -66.38 -30.25 70.59 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.464 ' HB3' ' HB3' ' A' ' 48' ' ' CYS . 5.4 t-105 -107.48 110.32 22.23 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.766 -173.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -109.68 131.86 54.67 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -168.38 14.59 Favored Glycine 0 N--CA 1.436 -1.331 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.481 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -65.54 137.41 57.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.387 0.675 . . . . 0.0 111.18 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 31.4 t -116.65 111.54 19.99 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.14 31.68 3.12 Favored Glycine 0 N--CA 1.438 -1.212 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -149.19 94.67 2.26 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -58.58 -51.14 71.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.831 0.852 . . . . 0.0 113.019 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -69.92 -32.23 70.4 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.156 -0.34 . . . . 0.0 111.296 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.22 -42.28 80.05 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.9 t -56.22 -50.91 69.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.377 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.15 -49.13 79.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.754 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -64.16 -44.23 92.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -68.0 -38.16 82.29 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.98 -56.31 23.28 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.351 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.4 -27.18 68.91 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.494 0.496 . . . . 0.0 112.264 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.82 -53.29 9.4 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -79.25 -59.69 2.66 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.93 175.11 8.8 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -120.04 86.29 2.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.78 -0.575 . . . . 0.0 109.61 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -129.1 99.05 5.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.595 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.25 -13.28 57.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.644 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 94.3 m-85 -87.37 -4.62 59.04 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -159.99 43.7 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.73 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.86 168.57 29.98 Favored Glycine 0 N--CA 1.427 -1.931 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.42 161.76 41.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.2 m -81.98 124.34 29.68 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 t-80 -127.59 132.5 49.81 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 12.2 t80 -90.21 115.11 27.19 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 58.8 tt0 -125.72 172.27 9.94 Favored 'General case' 0 C--N 1.268 -2.95 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.501 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 91.2 t80 -68.13 127.34 93.29 Favored Pre-proline 0 C--N 1.278 -2.5 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 71.9 Cg_endo -103.84 2.65 12.9 Favored 'Cis proline' 0 CA--C 1.557 1.63 0 N-CA-C 114.906 1.079 . . . . 0.0 114.906 -0.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 p -145.35 169.62 17.92 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 4.8 p -89.43 117.64 33.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 122.148 0.975 . . . . 0.0 110.907 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -124.48 -179.64 4.56 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 44.8 t -87.73 126.47 35.0 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 23.4 m-85 -123.15 118.76 28.41 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 120.966 0.412 . . . . 0.0 110.341 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -80.39 150.03 29.97 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.412 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 61.8 mttp -98.16 111.1 23.55 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -101.01 160.92 13.97 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.556 -0.857 . . . . 0.0 108.912 174.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 131.96 34.21 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--N 1.294 -1.809 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.549 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt . . . . . 0 N--CA 1.444 -0.729 0 CA-C-O 121.468 0.652 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 mt -112.31 124.48 52.57 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 174.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.3 m -99.05 132.66 44.2 Favored 'General case' 0 C--N 1.254 -3.569 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.569 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 23.5 m-20 -83.3 117.86 23.27 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.295 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.8 109.75 55.1 Favored Pre-proline 0 C--N 1.296 -1.758 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.04 130.74 26.58 Favored 'Trans proline' 0 C--N 1.332 -0.331 0 C-N-CA 122.204 1.936 . . . . 0.0 113.207 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 m -72.8 122.51 21.68 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.33 -35.19 15.07 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 t -62.26 -36.75 82.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.739 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -72.67 108.58 5.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 p -104.62 107.99 19.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.007 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.39 -168.85 18.41 Favored Glycine 0 N--CA 1.42 -2.381 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.799 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -70.5 150.11 46.49 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 124.194 0.997 . . . . 0.0 111.528 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.9 t -108.49 111.37 23.2 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.55 32.13 3.12 Favored Glycine 0 N--CA 1.431 -1.694 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m -152.39 104.94 2.97 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 m -67.17 -52.48 40.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.4 m -63.52 -40.11 96.2 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.402 0.144 . . . . 0.0 111.303 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.3 -36.59 84.61 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.57 -44.81 85.59 Favored 'General case' 0 C--O 1.251 1.142 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.9 m -59.34 -53.35 59.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.135 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -63.29 -39.65 95.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.679 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.1 tm0? -61.3 -52.49 64.47 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 122.577 0.351 . . . . 0.0 111.215 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.15 -28.45 54.18 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.399 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.86 -27.07 61.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.056 0.455 . . . . 0.0 109.905 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.84 -49.4 18.1 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.842 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 13.4 mmm180 -66.22 -55.8 14.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.519 -177.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -116.37 -172.16 2.13 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.998 0.427 . . . . 0.0 110.323 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -103.69 91.0 3.83 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -128.96 109.24 11.07 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.771 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.36 64.64 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.824 -176.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.11 8.61 38.68 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.86 -106.27 1.05 Allowed Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.226 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.93 167.45 35.99 Favored Glycine 0 N--CA 1.42 -2.392 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . . . -149.18 175.39 11.42 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.68 123.94 28.6 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.8 t60 -134.11 149.24 51.08 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 77.6 t80 -90.39 134.06 34.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.257 1.027 . . . . 0.0 112.786 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -151.27 155.28 38.44 Favored 'General case' 0 C--N 1.275 -2.632 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 168.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 85.8 t80 -61.49 140.38 94.89 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 69.7 Cg_endo -94.06 -6.16 35.88 Favored 'Cis proline' 0 CA--C 1.539 0.732 0 N-CA-C 115.799 1.423 . . . . 0.0 115.799 4.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -160.17 162.04 33.77 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 64.0 t -58.62 116.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 O-C-N 123.96 0.788 . . . . 0.0 108.928 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -123.45 172.1 8.97 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.9 t -74.91 121.37 21.78 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.32 0.648 . . . . 0.0 109.647 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 m-85 -120.47 122.77 41.39 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.687 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -75.45 136.59 40.68 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.546 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HE2' ' HB3' ' A' ' 38' ' ' ALA . 68.4 mttm -106.85 107.34 18.32 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.854 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 10.6 ptm180 -104.02 158.14 16.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.817 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -78.58 121.47 24.67 Favored 'General case' 0 N--CA 1.419 -2.005 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.276 -2.621 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.426 178.101 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 N--CA 1.436 -1.173 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 61.1 mt -118.14 139.33 51.42 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.936 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -107.17 131.9 53.63 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.67 115.88 26.52 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.56 144.77 34.84 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.96 123.89 14.73 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.561 2.174 . . . . 0.0 111.512 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t -80.9 131.8 35.38 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.81 -27.28 35.2 Favored Glycine 0 N--CA 1.434 -1.471 0 C-N-CA 120.164 -1.017 . . . . 0.0 110.613 176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.5 p -69.0 -29.24 67.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.108 0.48 . . . . 0.0 112.127 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -110.65 117.08 32.53 Favored 'General case' 0 N--CA 1.427 -1.616 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.358 -175.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -114.73 151.3 33.94 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.68 -155.08 30.23 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.68 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -76.29 132.99 40.15 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.247 0.546 . . . . 0.0 111.063 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.99 101.25 13.58 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.65 -50.31 0.91 Allowed Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.706 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -85.18 91.42 8.13 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-O 121.331 0.586 . . . . 0.0 110.064 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -60.95 -50.96 71.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.545 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.72 -31.95 72.93 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.87 0.366 . . . . 0.0 110.312 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.08 -38.39 75.7 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.35 -36.43 81.39 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.547 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.589 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.2 m -59.42 -51.56 69.37 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -60.28 -49.39 77.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.626 0.579 . . . . 0.0 110.356 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -54.88 -51.75 65.0 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.638 0.775 . . . . 0.0 111.777 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 44.1 t -69.22 -34.99 75.71 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.1 -29.73 66.77 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.704 0.764 . . . . 0.0 110.21 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.51 -50.92 8.82 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.265 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -87.09 -35.99 18.38 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -174.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 41.8 mm-40 -101.48 -173.0 2.26 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.887 0.375 . . . . 0.0 110.136 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -109.34 56.43 0.62 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 52' ' ' ARG . 78.3 m-85 -131.96 103.17 6.15 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.79 68.11 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 123.405 0.682 . . . . 0.0 112.771 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -90.77 -4.3 56.77 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 121.046 0.45 . . . . 0.0 111.379 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.3 -122.0 10.66 Favored Glycine 0 N--CA 1.422 -2.245 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.589 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.84 171.23 35.44 Favored Glycine 0 N--CA 1.415 -2.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 167.76 21.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.4 m -88.6 130.5 35.25 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.0 t-80 -143.97 135.38 25.83 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 67.7 t80 -77.09 132.47 38.89 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.378 0.608 . . . . 0.0 111.209 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -142.98 139.89 30.82 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 87.3 t80 -54.59 129.3 62.75 Favored Pre-proline 0 C--N 1.308 -1.198 0 CA-C-N 118.566 0.621 . . . . 0.0 110.611 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 43.1 Cg_endo -108.65 23.07 5.88 Favored 'Cis proline' 0 CA--C 1.553 1.446 0 N-CA-C 115.138 1.168 . . . . 0.0 115.138 2.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 p -151.02 161.88 41.89 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 96.1 t -72.1 104.35 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 174.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -106.1 165.26 11.35 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.6 131.15 45.79 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 41.2 m-85 -117.57 125.08 50.17 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.736 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.433 ' HA ' ' CA ' ' A' ' 37' ' ' GLY . 99.3 m -77.84 133.84 38.1 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -99.05 105.91 18.08 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.4 ptm180 -94.48 154.38 17.45 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.66 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.45 125.53 27.06 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.819 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.3 -1.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.081 176.365 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 N--CA 1.439 -1.024 0 CA-C-O 120.954 0.406 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt -113.85 136.15 53.19 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.751 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.2 m -107.08 150.49 26.49 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.276 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.45 120.88 31.93 Favored 'General case' 0 CA--C 1.498 -1.045 0 O-C-N 123.398 0.436 . . . . 0.0 110.294 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.44 136.48 27.2 Favored Pre-proline 0 C--N 1.3 -1.56 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.391 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -65.05 126.88 17.28 Favored 'Trans proline' 0 C--O 1.242 0.722 0 C-N-CA 122.213 1.942 . . . . 0.0 111.423 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' OG ' ' HB3' ' A' ' 13' ' ' TRP . 23.7 p -70.48 140.69 51.97 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.532 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.28 -35.53 6.6 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.23 -23.32 51.34 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.411 ' HB3' ' OG ' ' A' ' 10' ' ' SER . 13.9 t-105 -86.44 124.81 33.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -127.7 140.29 52.17 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.72 -149.66 16.64 Favored Glycine 0 N--CA 1.426 -1.971 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -93.28 143.6 26.11 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.751 0.82 . . . . 0.0 109.086 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.27 100.88 12.6 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.98 23.09 8.35 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 t -148.79 106.07 3.63 Favored 'General case' 0 N--CA 1.419 -1.994 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -71.66 -31.06 66.41 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.633 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 p -80.01 -41.33 26.02 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.081 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.65 -26.78 60.92 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.27 -51.62 69.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 173.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m -59.28 -51.75 68.6 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-O 121.108 0.48 . . . . 0.0 110.645 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.71 -55.46 34.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.868 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.4 -37.65 88.09 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.585 0.231 . . . . 0.0 110.497 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.6 t -54.92 -60.96 2.66 Favored 'General case' 0 C--O 1.299 3.691 0 C-N-CA 123.367 0.667 . . . . 0.0 110.804 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 48.0 mtmt -62.33 -50.58 71.06 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.728 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.27 -46.35 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.187 0.929 . . . . 0.0 112.337 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -70.17 -67.21 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -177.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -171.47 22.6 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 117.636 -1.625 . . . . 0.0 114.518 -170.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 70.7 m80 -106.52 -112.92 0.27 Allowed 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.374 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 73.1 m-85 -133.87 153.75 51.53 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.043 -171.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -14.53 61.36 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.501 1.12 . . . . 0.0 112.032 -177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 90.7 m-85 -85.55 -1.58 57.25 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.956 0.408 . . . . 0.0 111.055 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.75 -146.35 38.34 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.107 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.41 169.21 41.84 Favored Glycine 0 N--CA 1.414 -2.778 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.97 27.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.3 m -78.4 119.78 22.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 49.0 t-80 -129.52 129.95 45.17 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 49.5 t80 -68.87 140.88 55.19 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.603 0.716 . . . . 0.0 112.43 -176.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -154.07 151.44 29.31 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 75.7 t80 -64.51 137.66 97.2 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 75.0 Cg_endo -101.8 7.81 18.09 Favored 'Cis proline' 0 CA--C 1.553 1.45 0 C-N-CA 124.42 -1.075 . . . . 0.0 114.04 0.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -160.11 152.13 20.39 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.592 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.2 p -58.51 127.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 O-C-N 123.896 0.747 . . . . 0.0 111.518 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -113.43 164.79 13.15 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.461 -173.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.42 113.55 20.25 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.7 m-85 -107.87 119.69 40.16 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.23 0.538 . . . . 0.0 109.876 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.1 m -85.17 149.01 25.82 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.112 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 48.7 mmtm -95.0 107.24 19.28 Favored 'General case' 0 N--CA 1.421 -1.902 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.246 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 10.4 ptm180 -95.52 155.94 16.53 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.0 131.97 34.4 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.5 m . . . . . 0 C--N 1.283 -2.284 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.704 177.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 11.1 mptt . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 121.282 0.563 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 48.3 mt -103.63 132.4 49.91 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.4 m -104.02 128.6 51.61 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.02 118.66 19.02 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.08 125.94 29.32 Favored Pre-proline 0 C--N 1.31 -1.139 0 C-N-CA 124.328 1.051 . . . . 0.0 109.449 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.38 125.43 15.05 Favored 'Trans proline' 0 C--O 1.245 0.849 0 C-N-CA 122.124 1.882 . . . . 0.0 111.499 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -81.14 108.1 14.5 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.67 -13.39 71.56 Favored Glycine 0 C--O 1.239 0.431 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.967 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.9 p -81.92 -14.17 56.5 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.001 0.429 . . . . 0.0 111.32 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -93.68 140.3 29.8 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -135.03 141.0 46.07 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.24 -157.93 25.25 Favored Glycine 0 N--CA 1.428 -1.87 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.208 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -83.54 123.71 30.02 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 123.367 0.667 . . . . 0.0 110.226 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.18 102.13 12.37 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.55 16.07 19.45 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -146.47 104.79 3.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 23' ' ' CYS . 50.7 m -77.25 -22.24 52.46 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.069 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.5 p -71.91 -41.14 68.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.127 0.489 . . . . 0.0 110.057 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -71.35 -35.98 71.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 29.3 t -56.69 -55.96 27.44 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.786 0.678 . . . . 0.0 110.05 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 8.5 p -60.33 -46.74 88.84 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.21 -43.55 97.81 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 27.0 tt0 -64.61 -45.9 84.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 t -53.83 -53.14 56.63 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.282 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -63.66 -34.43 77.83 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.144 0.578 . . . . 0.0 111.625 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.39 -35.44 63.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.108 0.48 . . . . 0.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 4.8 mmp_? -69.25 -54.14 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.111 176.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -139.73 150.43 44.81 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 75.9 10.11 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -92.46 108.23 19.81 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.193 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.58 70.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 123.45 0.7 . . . . 0.0 111.539 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.58 1.98 56.52 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.088 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -135.93 41.47 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 116.238 -0.437 . . . . 0.0 113.215 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -168.26 167.18 40.04 Favored Glycine 0 N--CA 1.422 -2.235 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.29 168.12 23.38 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.78 135.85 38.98 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.606 0.241 . . . . 0.0 110.526 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.623 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 19.4 t60 -144.39 140.5 29.07 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.518 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 3.4 t80 -89.21 114.97 26.35 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -114.38 -88.76 0.56 Allowed 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.982 173.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 86.7 t80 -159.0 130.22 3.85 Favored Pre-proline 0 C--N 1.278 -2.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.995 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 88.3 Cg_endo -96.28 1.01 40.16 Favored 'Cis proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.977 -1.26 . . . . 0.0 111.609 -3.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -134.56 179.9 6.0 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 -173.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 39.5 t -75.15 117.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.42 167.65 11.73 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -81.43 124.66 29.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.623 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 29.6 m-85 -122.77 117.58 26.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.995 0.426 . . . . 0.0 111.433 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.34 143.5 33.51 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.41 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 92.7 mttt -99.75 100.93 11.95 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 16.4 ptm180 -84.09 143.65 29.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.174 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 5' ' ' LEU . 9.0 tt0 -83.15 95.41 8.09 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.115 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.1 m . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.272 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 mt -110.78 142.12 43.18 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.676 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 m -107.51 133.29 52.2 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 11.3 m-20 -83.57 110.62 18.39 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.222 0.535 . . . . 0.0 110.644 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.11 125.33 44.16 Favored Pre-proline 0 C--N 1.295 -1.761 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.8 112.58 1.53 Allowed 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.882 1.722 . . . . 0.0 109.927 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.9 m -67.52 108.84 2.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.286 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.96 -16.87 75.03 Favored Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 p -68.36 -40.42 81.49 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 114.463 -0.868 . . . . 0.0 110.004 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -98.7 99.43 10.54 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.597 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -107.57 109.34 20.96 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.87 -167.84 24.97 Favored Glycine 0 N--CA 1.427 -1.911 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -74.51 130.37 39.47 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 123.911 0.418 . . . . 0.0 110.244 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.67 97.15 8.78 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.0 -33.64 2.75 Favored Glycine 0 C--N 1.294 -1.782 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 m -85.66 93.77 8.92 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 114.937 -0.631 . . . . 0.0 109.926 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -65.85 -48.4 71.73 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.339 -0.846 . . . . 0.0 113.022 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -66.31 -35.81 81.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 120.958 0.409 . . . . 0.0 110.159 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -64.86 -44.0 91.16 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.638 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.38 -48.45 74.28 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.356 0.662 . . . . 0.0 110.473 174.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.476 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.9 m -59.21 -52.88 63.76 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.92 -43.91 74.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -61.57 -45.05 95.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.1 -46.18 91.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.266 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -71.46 -22.87 61.76 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.041 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.04 -44.06 10.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.983 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -75.32 -47.39 27.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.047 0.451 . . . . 0.0 110.611 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -107.17 179.89 4.13 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -120.82 87.39 2.74 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.366 -1.734 . . . . 0.0 111.625 177.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.43 118.04 28.39 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.59 74.33 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.2 0.524 . . . . 0.0 111.836 -173.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -90.54 5.37 48.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.777 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 57.97 -126.96 43.86 Favored Glycine 0 N--CA 1.429 -1.824 0 CA-C-N 114.629 -1.169 . . . . 0.0 112.228 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.476 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -153.55 170.52 32.34 Favored Glycine 0 N--CA 1.407 -3.284 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.03 163.32 38.45 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.23 135.03 36.66 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.677 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.7 t60 -142.64 141.53 31.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -177.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -91.95 128.9 37.96 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.306 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -139.68 145.81 38.86 Favored 'General case' 0 C--N 1.279 -2.457 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 83.4 t80 -52.24 127.79 39.11 Favored Pre-proline 0 C--N 1.31 -1.137 0 CA-C-N 118.001 0.364 . . . . 0.0 110.589 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 56.2 Cg_endo -115.56 33.64 0.9 Allowed 'Cis proline' 0 CA--C 1.553 1.431 0 CA-C-N 118.912 0.647 . . . . 0.0 112.88 -2.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -150.12 153.22 36.01 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.157 -0.964 . . . . 0.0 112.612 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.8 106.5 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -114.91 167.47 10.76 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -84.52 130.57 34.73 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.677 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 51.6 m-85 -125.2 115.48 20.48 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.58 133.44 45.75 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.679 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -98.44 105.56 17.72 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.255 0.55 . . . . 0.0 111.29 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -89.36 149.7 22.89 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.468 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -80.92 113.8 19.37 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.367 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 51.3 mt -118.27 150.04 40.13 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.111 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.2 m -116.84 145.3 43.64 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -89.53 130.2 35.89 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.1 132.51 24.39 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.01 125.02 13.45 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 121.741 1.628 . . . . 0.0 111.056 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 t -84.17 114.28 21.68 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -19.27 78.6 Favored Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.769 -175.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -96.77 20.01 11.62 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 23' ' ' CYS . 61.7 t-105 -95.14 139.76 31.02 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -90.64 99.96 12.9 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.442 0.639 . . . . 0.0 111.937 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.85 -125.18 27.55 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -75.41 137.49 41.05 Favored 'General case' 0 C--N 1.313 -0.978 0 C-N-CA 124.158 0.983 . . . . 0.0 111.843 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 34.9 t -100.25 109.87 22.11 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.65 5.65 26.16 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.484 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -154.0 109.58 3.2 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -62.37 -29.39 70.44 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 m -74.8 -30.44 61.42 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.549 0.214 . . . . 0.0 110.86 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -70.31 -38.13 74.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 32.3 t -57.55 -54.0 51.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.11 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.2 p -60.15 -48.22 82.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.35 -50.73 72.02 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.542 0.527 . . . . 0.0 110.172 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.55 -42.96 81.81 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.127 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.679 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 43.7 t -55.13 -46.34 75.62 Favored 'General case' 0 C--O 1.277 2.518 0 C-N-CA 122.705 0.402 . . . . 0.0 111.121 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -64.15 -45.96 86.18 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.284 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.11 -35.42 78.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.545 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -69.9 -80.78 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.5 20.15 0.02 OUTLIER 'General case' 0 C--O 1.247 0.933 0 C-N-CA 118.106 -1.438 . . . . 0.0 114.146 -166.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.679 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 89.3 m-70 -117.05 -97.82 0.46 Allowed 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.5 m-85 -141.91 156.38 45.5 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -167.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.36 -14.23 62.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 123.197 0.599 . . . . 0.0 111.188 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -75.72 -18.07 59.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.0 -132.55 17.23 Favored Glycine 0 N--CA 1.428 -1.867 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.081 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 51' ' ' LYS . . . -168.12 -179.4 40.59 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.09 160.88 39.15 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -83.39 113.78 20.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 120.683 0.278 . . . . 0.0 110.504 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.669 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 63.1 t60 -119.72 138.87 53.04 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 114.54 12.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.289 0.566 . . . . 0.0 110.415 -175.097 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -109.32 152.78 24.82 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 68.2 t80 -88.29 130.51 45.62 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 79.8 Cg_endo -93.58 -6.92 35.96 Favored 'Cis proline' 0 CA--C 1.549 1.236 0 C-N-CA 123.84 -1.317 . . . . 0.0 115.018 2.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.2 p -129.87 143.35 50.76 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 45.5 t -52.75 126.23 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.358 1.063 . . . . 0.0 110.397 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.44 159.77 23.62 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.77 115.49 18.49 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 24.5 m-85 -106.76 110.48 22.67 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.3 m -74.71 149.14 39.96 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.253 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 32.3 mtpt -108.93 109.46 20.55 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.126 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ptm180 -87.75 153.22 21.52 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -78.9 125.93 30.02 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--N 1.292 -1.9 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm . . . . . 0 N--CA 1.427 -1.598 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 51' ' ' LYS . 49.8 mt -112.27 160.21 17.87 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 m -126.04 142.94 51.3 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.83 122.19 28.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.066 0.46 . . . . 0.0 110.93 -177.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 50' ' ' CYS . 58.6 t -110.8 110.89 57.0 Favored Pre-proline 0 C--N 1.295 -1.789 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.13 118.75 5.65 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.059 1.839 . . . . 0.0 111.468 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -69.21 111.46 5.16 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.674 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.42 72.4 Favored Glycine 0 C--N 1.322 -0.21 0 O-C-N 123.25 0.344 . . . . 0.0 113.004 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -75.83 -21.07 57.64 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.457 ' HB2' HE22 ' A' ' 26' ' ' GLN . 2.1 t-105 -105.7 112.19 25.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -123.19 152.73 40.93 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.97 -109.18 2.99 Favored Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.825 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -131.31 130.26 42.53 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.36 99.23 11.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.11 38.47 2.75 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.573 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -153.05 96.71 2.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -61.12 -45.58 94.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.167 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 t -67.24 -40.03 86.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.025 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.61 -28.36 62.72 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.099 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.3 t -66.92 -44.44 80.69 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.2 m -61.38 -47.84 83.97 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.479 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.77 -50.35 68.68 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 123.954 0.902 . . . . 0.0 111.042 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.457 HE22 ' HB2' ' A' ' 13' ' ' TRP . 6.5 tt0 -57.19 -46.23 83.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.104 0.478 . . . . 0.0 110.741 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -65.93 -37.45 86.09 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.241 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -76.18 -21.72 56.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.532 . . . . 0.0 110.507 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.11 -54.16 5.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.218 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -75.3 -50.86 14.73 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.588 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -106.22 -170.63 1.76 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -128.74 87.55 2.59 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -128.61 115.61 18.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.64 -13.88 62.53 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.387 0.613 . . . . 0.0 111.133 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.25 -9.2 55.69 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.4 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.25 -127.4 14.45 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.121 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.73 158.73 28.02 Favored Glycine 0 N--CA 1.423 -2.233 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 -177.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.2 155.25 47.94 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 117.666 0.733 . . . . 0.0 110.668 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.8 m -73.02 113.14 9.71 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -128.62 128.15 43.63 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.351 -172.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.625 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 t80 -86.14 84.97 7.36 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -99.9 -70.1 0.74 Allowed 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.687 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 35.9 t80 -163.76 133.61 3.15 Favored Pre-proline 0 C--N 1.257 -3.446 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.371 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 6.2 Cg_endo -96.74 1.11 38.01 Favored 'Cis proline' 0 C--O 1.244 0.79 0 C-N-CA 124.778 -0.926 . . . . 0.0 110.617 -6.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -145.91 -179.99 7.08 Favored 'General case' 0 C--O 1.253 1.245 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.9 p -83.36 103.92 11.25 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.832 1.301 . . . . 0.0 110.086 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -118.65 171.05 8.46 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 113.417 -1.72 . . . . 0.0 107.362 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.85 124.99 29.55 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.6 115.47 20.87 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.89 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 57.1 m -73.25 146.85 45.13 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.173 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HB3' HD13 ' A' ' 5' ' ' LEU . 97.1 mttt -103.26 109.23 20.76 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.284 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -92.78 150.66 20.49 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -78.21 120.84 23.58 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.5 m . . . . . 0 C--N 1.298 -1.659 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.586 177.658 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm . . . . . 0 CA--C 1.495 -1.137 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 42.3 mt -121.43 139.19 53.79 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 62.7 m -100.33 122.93 43.89 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.632 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 5.3 m-20 -81.3 99.81 8.85 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -95.34 121.71 61.27 Favored Pre-proline 0 C--N 1.301 -1.532 0 C-N-CA 123.046 0.538 . . . . 0.0 110.495 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -64.24 119.78 6.92 Favored 'Trans proline' 0 C--O 1.25 1.101 0 C-N-CA 122.387 2.058 . . . . 0.0 111.51 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 t -64.19 122.89 17.71 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.885 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.35 -35.54 29.41 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -72.86 -39.24 66.63 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.629 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -73.58 114.51 11.9 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.89 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -131.58 148.83 52.65 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.742 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . 105.3 -109.4 3.24 Favored Glycine 0 N--CA 1.435 -1.397 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.556 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -131.34 155.9 46.44 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.95 108.11 7.24 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.93 -28.14 8.97 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -118.8 98.86 6.42 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -62.29 -27.15 68.83 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -72.34 -14.85 61.84 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.454 -0.779 . . . . 0.0 111.384 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -76.55 -42.5 42.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.6 p -74.91 -30.51 61.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.2 t -60.31 -46.43 89.89 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -62.35 -46.03 90.49 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.08 -55.16 19.01 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.221 0.951 . . . . 0.0 110.577 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 90.4 m -66.25 -42.81 88.04 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -67.65 -24.27 65.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.202 0.456 . . . . 0.0 111.865 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -89.4 -58.99 2.33 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.517 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -74.19 -39.86 62.88 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.679 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.58 -172.69 2.09 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -103.22 27.24 7.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 98.2 m-85 -90.47 76.87 6.59 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.24 65.15 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.296 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 91.8 m-85 -85.99 -2.41 58.27 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.467 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 -157.7 37.23 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.184 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.25 169.25 34.81 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.21 150.82 43.19 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.9 m -102.43 137.56 40.51 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.013 0.435 . . . . 0.0 110.916 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' HD2' ' O ' ' A' ' 41' ' ' TYR . 7.1 t60 -145.47 143.08 29.8 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 90.6 t80 -75.05 131.52 40.64 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.777 0.798 . . . . 0.0 111.068 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -137.56 148.65 46.08 Favored 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 88.6 t80 -63.21 132.25 95.04 Favored Pre-proline 0 C--N 1.286 -2.173 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.443 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 42.4 Cg_endo -105.86 12.85 9.25 Favored 'Cis proline' 0 CA--C 1.55 1.322 0 C-N-CA 124.751 -0.937 . . . . 0.0 114.498 -0.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 23.5 p -145.76 159.21 43.51 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.988 -0.445 . . . . 0.0 112.081 -173.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.0 t -73.84 113.07 11.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -104.69 143.38 33.17 Favored 'General case' 0 N--CA 1.419 -1.987 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -96.62 129.92 43.93 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.632 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 59.9 m-85 -111.06 107.81 17.32 Favored 'General case' 0 N--CA 1.411 -2.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.7 m -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.869 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 52.9 mtmt -92.45 121.83 34.3 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -107.92 149.74 27.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 170.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 35' ' ' TYR . 7.2 tt0 -75.39 126.91 31.97 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.288 -2.084 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.872 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 3.4 mptp? . . . . . 0 N--CA 1.434 -1.269 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 74.8 mt -106.63 130.4 54.39 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.784 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.84 141.08 30.47 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.052 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 51.0 m-20 -94.21 113.23 25.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.697 0.761 . . . . 0.0 111.025 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.2 t -102.38 115.65 64.16 Favored Pre-proline 0 C--N 1.297 -1.708 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.27 126.29 21.58 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.813 2.342 . . . . 0.0 111.794 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 m -76.55 123.05 25.49 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.61 -20.29 24.95 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -80.04 -8.95 59.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-O 121.723 0.773 . . . . 0.0 109.2 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -110.4 128.42 55.57 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -119.94 127.51 52.73 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.417 0.627 . . . . 0.0 111.983 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.88 -147.37 18.65 Favored Glycine 0 N--CA 1.425 -2.047 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.096 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -83.85 136.5 34.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.307 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.0 t -102.06 117.09 34.08 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.016 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.67 1.69 42.21 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.883 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 t -150.36 113.18 4.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 120.848 0.356 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -66.66 -27.28 67.54 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.075 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 t -76.06 -39.35 55.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.827 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.86 -48.7 80.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.49 -31.3 69.48 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.521 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.453 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 13.4 t -60.3 -49.73 76.44 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.16 -36.3 77.24 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.275 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.03 -53.19 60.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.692 0.282 . . . . 0.0 110.265 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.4 t -70.06 -36.65 75.14 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -177.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.59 -37.52 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.931 0.396 . . . . 0.0 111.018 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.87 -39.54 26.25 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -79.8 -43.64 22.09 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 120.683 0.277 . . . . 0.0 111.598 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.84 -165.4 1.07 Allowed 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.815 0.446 . . . . 0.0 110.459 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -102.33 21.32 15.26 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -87.99 102.11 14.42 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.689 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.47 72.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.161 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.03 7.72 45.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.476 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.62 -123.58 33.25 Favored Glycine 0 N--CA 1.433 -1.529 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.442 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.02 166.48 34.06 Favored Glycine 0 N--CA 1.414 -2.789 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.29 160.91 38.72 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.6 m -109.12 135.77 49.71 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.473 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -136.15 156.44 48.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -173.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -74.9 136.9 41.43 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 122.059 0.933 . . . . 0.0 112.461 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -150.0 141.11 23.03 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.4 136.22 96.67 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -94.85 -16.15 12.01 Favored 'Cis proline' 0 CA--C 1.549 1.249 0 C-N-CA 123.758 -1.351 . . . . 0.0 114.819 0.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -128.87 149.23 50.85 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.849 -0.532 . . . . 0.0 111.459 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.84 117.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 123.2 0.6 . . . . 0.0 109.857 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.86 163.6 14.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.372 -174.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.9 t -92.81 141.85 27.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 120.972 0.415 . . . . 0.0 110.341 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.502 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 82.8 m-85 -132.12 119.2 20.62 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 26.4 mtpp -109.53 107.1 17.09 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.962 -172.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 31.1 ptt85 -97.32 158.05 15.66 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.8 117.54 20.01 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.485 0.714 . . . . 0.0 110.775 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.293 -1.886 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.279 175.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.439 -1.008 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 47.4 mt -109.4 135.54 50.27 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 121.569 0.699 . . . . 0.0 109.608 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.5 m -106.07 132.23 52.4 Favored 'General case' 0 C--N 1.277 -2.563 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -76.81 109.03 10.26 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 50' ' ' CYS . 9.4 p -102.96 123.35 42.4 Favored Pre-proline 0 C--N 1.307 -1.262 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.53 117.61 3.84 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.933 2.422 . . . . 0.0 111.386 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -73.63 105.92 5.16 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.54 -23.65 77.56 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -67.91 -27.99 67.12 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 115.147 -0.526 . . . . 0.0 111.342 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -88.64 140.82 29.07 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 m -126.93 114.18 17.5 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.62 -154.7 17.91 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.453 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.435 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 54.1 t60 -77.03 133.39 39.12 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.297 0.639 . . . . 0.0 111.2 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 35.1 t -87.5 96.63 10.46 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.5 -35.67 3.26 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -94.39 98.05 10.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.105 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 14.7 m -62.51 -35.48 79.52 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 123.107 0.563 . . . . 0.0 111.14 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -69.19 -36.62 77.51 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -72.43 -36.22 68.52 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.287 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.5 t -51.78 -56.78 11.86 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.118 0.886 . . . . 0.0 110.388 176.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' A' ' 37' ' ' GLY . 8.6 p -66.6 -54.07 27.47 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.916 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -56.93 -44.41 82.44 Favored 'General case' 0 C--O 1.189 -2.097 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.735 -175.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.3 -52.16 64.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.426 ' HB2' ' ND1' ' A' ' 32' ' ' HIS . 26.7 p -74.27 -32.08 62.78 Favored 'General case' 0 C--O 1.261 1.697 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.318 -175.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.5 -43.29 81.24 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.387 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.38 -39.61 94.99 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 123.324 0.65 . . . . 0.0 109.658 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 15.6 tpp180 -61.29 -82.07 0.02 OUTLIER 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.075 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 28.7 mt-10 179.05 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.865 1.666 . . . . 0.0 108.999 -177.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.426 ' ND1' ' HB2' ' A' ' 27' ' ' CYS . 61.8 m80 -140.32 -96.29 0.15 Allowed 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.72 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -146.32 145.8 30.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -174.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -20.22 66.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.588 0.555 . . . . 0.0 111.582 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -67.98 -23.63 65.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.786 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.85 5.3 Favored Glycine 0 N--CA 1.423 -2.215 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.19 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 24' ' ' SER . . . -176.14 -176.78 44.63 Favored Glycine 0 N--CA 1.417 -2.578 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.631 -176.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.4 163.11 39.69 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.44 127.85 34.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.643 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 74.7 t60 -141.7 144.44 34.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.6 t80 -86.92 125.72 34.22 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.673 -0.642 . . . . 0.0 111.69 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -133.3 -84.81 0.45 Allowed 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.024 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 67.9 t80 -158.77 136.15 7.05 Favored Pre-proline 0 C--N 1.274 -2.693 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.153 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 1.8 Cg_endo -89.17 -10.51 39.33 Favored 'Cis proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.702 -1.374 . . . . 0.0 110.556 -4.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 m -131.53 -178.49 4.88 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.646 -174.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 58.2 t -55.84 122.85 5.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 171.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -116.32 159.75 21.47 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -173.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -84.09 132.61 34.69 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.643 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.9 m-85 -125.56 117.32 23.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.458 ' O ' HG12 ' A' ' 8' ' ' VAL . 32.8 m -78.92 144.08 35.2 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.1 mttt -95.59 107.54 19.73 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.315 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -88.15 141.18 28.77 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.018 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.46 115.8 13.27 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.794 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 C--N 1.295 -1.782 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.226 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.5 mptt . . . . . 0 N--CA 1.44 -0.947 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.4 mt -114.01 162.16 16.79 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.387 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.2 117.4 24.52 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.33 103.4 4.71 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.041 0.448 . . . . 0.0 110.302 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -103.59 118.59 57.15 Favored Pre-proline 0 C--N 1.311 -1.096 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.63 130.4 23.39 Favored 'Trans proline' 0 C--O 1.246 0.89 0 C-N-CA 122.477 2.118 . . . . 0.0 111.834 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m -98.85 132.97 43.79 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-O 121.141 0.496 . . . . 0.0 111.73 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.66 -7.65 74.86 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 p -76.46 -24.8 53.87 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.899 0.88 . . . . 0.0 110.44 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t-105 -91.46 135.41 33.86 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -101.09 112.83 25.4 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.87 -126.79 7.69 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -84.18 145.04 28.58 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 124.249 1.019 . . . . 0.0 112.172 -170.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 49.8 t -112.2 107.52 16.44 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.41 -32.94 2.61 Favored Glycine 0 C--N 1.302 -1.356 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -99.29 104.37 16.28 Favored 'General case' 0 N--CA 1.416 -2.164 0 CA-C-O 121.568 0.699 . . . . 0.0 110.559 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 m -70.31 -33.65 71.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.334 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -69.67 -40.18 76.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.64 -40.44 84.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.422 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.4 t -52.63 -56.37 15.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.178 0.924 . . . . 0.0 110.073 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.579 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 4.3 p -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.64 -46.39 89.14 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.44 -45.45 76.02 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.179 0.445 . . . . 0.0 111.061 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.7 t -67.4 -44.27 79.26 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-O 121.843 0.83 . . . . 0.0 110.529 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -75.39 -21.59 58.14 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.56 -36.06 45.09 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 31' ' ' GLU . 21.3 tpp180 -65.6 -70.81 0.22 Allowed 'General case' 0 N--CA 1.411 -2.414 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.916 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 10.6 pt-20 -178.42 12.28 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.276 51.6 m-70 -89.84 -94.08 0.12 Allowed 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -166.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -143.18 163.43 32.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.523 0.602 . . . . 0.0 110.683 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.26 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.316 0.579 . . . . 0.0 110.477 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.31 20.08 12.13 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 24' ' ' SER . . . -71.24 69.64 0.85 Allowed Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 24' ' ' SER . . . 153.06 121.5 0.86 Allowed Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.312 -0.947 . . . . 0.0 114.205 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.37 144.16 22.73 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.3 m -76.1 120.65 21.7 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.613 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.7 t-160 -129.64 131.69 46.51 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 86.6 t80 -66.53 132.04 47.35 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.829 0.823 . . . . 0.0 111.677 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -132.97 157.27 45.59 Favored 'General case' 0 C--N 1.278 -2.515 0 N-CA-C 104.671 -2.344 . . . . 0.0 104.671 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 64.2 t80 -82.82 131.69 53.69 Favored Pre-proline 0 C--N 1.282 -2.342 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 66.4 Cg_endo -100.16 2.28 23.46 Favored 'Cis proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.357 -1.101 . . . . 0.0 113.463 -1.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -129.13 149.28 51.01 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -174.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 57.5 t -67.27 122.55 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -123.58 166.99 14.51 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.44 110.97 18.61 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 123.628 0.771 . . . . 0.0 110.089 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 6.6 m-85 -107.36 123.84 48.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.81 112.37 24.1 Favored 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.429 -177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -73.24 119.46 17.51 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.378 -176.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -95.11 155.12 16.86 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -82.12 130.81 35.19 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.294 -1.815 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.61 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 61.3 mt -97.14 145.96 25.51 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.332 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -117.16 139.53 50.64 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.097 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -83.9 110.38 18.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.599 0.562 . . . . 0.0 111.013 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.25 121.87 39.24 Favored Pre-proline 0 C--N 1.301 -1.51 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 122.25 11.15 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.388 2.058 . . . . 0.0 111.436 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -67.38 104.0 1.42 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.475 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.16 -23.23 78.02 Favored Glycine 0 CA--C 1.504 -0.623 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -94.55 14.85 19.57 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.221 0.534 . . . . 0.0 110.979 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.51 ' CE3' ' HA ' ' A' ' 23' ' ' CYS . 73.8 t-105 -111.37 133.61 53.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -91.83 102.19 14.79 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.153 0.501 . . . . 0.0 112.18 -175.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.98 -123.68 18.78 Favored Glycine 0 C--O 1.245 0.806 0 N-CA-C 116.294 1.278 . . . . 0.0 116.294 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.52 131.85 46.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.726 0.81 . . . . 0.0 112.428 -173.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.68 98.07 11.19 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.57 -43.03 2.79 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 119.9 -1.143 . . . . 0.0 110.304 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -103.45 109.43 21.07 Favored 'General case' 0 N--CA 1.423 -1.808 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -62.18 -37.06 83.84 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.161 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 t -68.75 -40.4 79.8 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.15 0.5 . . . . 0.0 110.542 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.76 -38.11 67.46 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.781 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.7 p -65.92 -43.63 87.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.741 -0.784 . . . . 0.0 110.068 -177.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -65.19 -51.08 63.26 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.159 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -59.73 -43.52 94.16 Favored 'General case' 0 C--O 1.212 -0.901 0 O-C-N 123.558 0.536 . . . . 0.0 111.12 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -66.84 -46.18 75.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.005 0.431 . . . . 0.0 110.835 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.0 t -56.52 -51.11 69.76 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 124.296 1.038 . . . . 0.0 109.846 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -60.97 -54.93 38.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 126.433 1.893 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.73 -37.27 75.8 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 123.896 0.879 . . . . 0.0 111.721 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -75.91 -73.72 0.25 Allowed 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -157.4 29.25 0.29 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 118.971 0.805 . . . . 0.0 113.039 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.297 79.1 m80 -118.66 -109.68 0.35 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -137.28 150.65 47.95 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.165 -170.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -3.06 28.24 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 112.151 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.1 -10.25 50.67 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.455 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -138.47 33.47 Favored Glycine 0 N--CA 1.434 -1.457 0 C-N-CA 120.487 -0.864 . . . . 0.0 111.555 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.84 -172.88 38.23 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.62 168.15 24.38 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.6 m -83.12 129.22 35.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.51 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.1 t60 -134.4 144.29 48.1 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 57.3 t80 -80.12 134.82 36.2 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.536 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -145.67 161.36 40.05 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.22 135.56 79.5 Favored Pre-proline 0 C--N 1.286 -2.165 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -108.2 22.35 6.49 Favored 'Cis proline' 0 CA--C 1.55 1.303 0 CA-C-N 119.633 0.905 . . . . 0.0 113.251 -0.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -159.25 157.23 30.24 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.3 t -66.65 118.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -123.42 165.56 16.84 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.8 t -91.56 139.62 30.52 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.704 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 31.0 m-85 -125.21 120.23 30.71 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.354 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -90.71 143.83 26.34 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.196 0.522 . . . . 0.0 111.375 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 54.6 mtmt -93.79 117.27 29.87 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.428 -172.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 5.0 ptm180 -104.82 151.29 23.98 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -77.51 117.58 19.1 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 123.593 0.558 . . . . 0.0 110.341 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.684 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 CA--C 1.507 -0.7 0 CA-C-O 120.985 0.421 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.45 76.86 0.22 Allowed Glycine 0 N--CA 1.426 -1.99 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -67.17 136.28 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -86.43 109.15 18.85 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 120.886 0.374 . . . . 0.0 110.157 -173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.64 140.35 43.58 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -110.19 124.57 51.82 Favored 'General case' 0 C--N 1.281 -2.389 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.426 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.07 107.07 12.57 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.03 138.67 19.73 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.604 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.18 142.17 59.94 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.444 2.096 . . . . 0.0 112.352 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.0 p -90.64 144.35 25.84 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.89 -19.61 19.09 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 p -75.53 -54.56 6.81 Favored 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 123.689 0.795 . . . . 0.0 110.765 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -79.51 135.85 36.74 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.3 m -146.36 157.95 43.84 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.56 -105.81 3.01 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.828 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -135.51 143.75 45.95 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 37.0 t -109.29 104.58 13.73 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.24 -20.53 12.19 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.078 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 p -127.06 115.15 18.75 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-O 121.33 0.586 . . . . 0.0 110.941 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.9 p -73.15 -23.1 60.41 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.002 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.0 p -68.89 -40.64 79.1 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.139 0.495 . . . . 0.0 110.259 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.05 -34.18 50.58 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.228 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 22.2 t -56.95 -51.15 70.32 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 123.486 0.492 . . . . 0.0 109.774 173.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.9 p -64.21 -41.28 97.11 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -59.84 -44.41 94.11 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.93 -48.37 78.43 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 123.496 0.498 . . . . 0.0 110.731 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 78.7 m -63.42 -40.5 97.35 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -72.92 -32.0 65.01 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.301 0.572 . . . . 0.0 110.78 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -77.93 -47.67 18.09 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.267 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -73.37 -46.55 48.4 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.161 -177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -131.7 -167.35 1.85 Allowed 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.27 -175.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -91.05 26.51 2.12 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.274 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -88.32 78.57 7.96 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.79 -17.99 63.64 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.465 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 53' ' ' GLN . 88.5 m-85 -85.6 -1.71 57.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.056 0.455 . . . . 0.0 110.779 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.5 -131.32 10.29 Favored Glycine 0 N--CA 1.424 -2.154 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.421 175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.6 173.13 45.52 Favored Glycine 0 N--CA 1.419 -2.439 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -144.09 163.3 33.97 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.42 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 75.2 m -87.3 114.17 23.67 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.635 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 44.8 t60 -119.51 139.89 51.36 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 44.2 t80 -80.71 128.94 34.21 Favored 'General case' 0 N--CA 1.435 -1.192 0 CA-C-O 121.501 0.667 . . . . 0.0 110.399 -177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -138.49 166.41 24.36 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 53.1 t80 -78.01 133.29 65.53 Favored Pre-proline 0 C--N 1.292 -1.924 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 176.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 14.6 Cg_endo -101.41 3.9 19.33 Favored 'Cis proline' 0 CA--C 1.554 1.482 0 N-CA-C 114.681 0.993 . . . . 0.0 114.681 0.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.5 m -145.59 167.78 22.24 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.443 -0.786 . . . . 0.0 112.266 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.2 t -66.86 119.37 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -119.79 161.83 20.12 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.2 t -82.19 126.21 31.81 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 18.7 m-85 -120.71 124.09 44.31 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 65.7 m -83.41 141.62 31.59 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.336 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -97.22 109.08 21.91 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.086 0.469 . . . . 0.0 110.833 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -99.35 160.36 14.33 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' HB2' ' CE2' ' A' ' 35' ' ' TYR . 40.2 tt0 -89.62 137.61 32.19 Favored 'General case' 0 C--N 1.285 -2.199 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.276 -2.598 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 175.542 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 C--O 1.238 0.471 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.63 -133.3 11.82 Favored Glycine 0 CA--C 1.491 -1.461 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -85.59 133.56 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.8 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -94.48 140.33 29.98 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 53' ' ' GLN . 51.8 mt -118.31 141.32 48.64 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.6 m -103.93 120.83 41.84 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 22.7 m-20 -91.35 106.21 18.33 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 m -101.27 135.0 19.98 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -63.2 120.24 7.62 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.254 1.97 . . . . 0.0 112.048 -177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -78.96 116.28 19.18 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.12 -25.91 73.54 Favored Glycine 0 N--CA 1.441 -1.026 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.291 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.33 -8.59 56.76 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.458 ' HB2' ' OE1' ' A' ' 26' ' ' GLN . 25.0 t-105 -100.75 124.65 46.68 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 t -125.09 141.21 52.26 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.57 -164.45 29.19 Favored Glycine 0 N--CA 1.433 -1.507 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -72.3 146.22 47.33 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 123.276 0.63 . . . . 0.0 110.37 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.2 t -109.74 100.11 9.17 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.34 -46.72 1.39 Allowed Glycine 0 N--CA 1.439 -1.146 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -83.01 102.59 11.85 Favored 'General case' 0 N--CA 1.424 -1.756 0 CA-C-O 121.112 0.482 . . . . 0.0 110.092 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.3 t -65.32 -30.61 71.48 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.106 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.4 m -73.34 -27.07 61.31 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.808 0.337 . . . . 0.0 111.352 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -74.98 -34.6 62.01 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.05 -48.04 75.21 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.985 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.442 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 12.7 p -64.12 -40.79 96.95 Favored 'General case' 0 N--CA 1.434 -1.245 0 O-C-N 122.23 -0.294 . . . . 0.0 111.16 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.05 -44.69 97.02 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.458 ' OE1' ' HB2' ' A' ' 13' ' ' TRP . 36.1 tt0 -59.18 -52.42 65.79 Favored 'General case' 0 C--O 1.215 -0.73 0 O-C-N 123.619 0.574 . . . . 0.0 110.604 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.8 m -66.14 -32.28 73.63 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -71.12 -31.61 67.97 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.684 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -81.05 -48.4 12.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.672 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -72.74 -46.98 50.71 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.399 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -103.05 -168.22 1.49 Allowed 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -177.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -114.7 24.17 12.04 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -93.74 116.3 28.78 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 121.172 0.51 . . . . 0.0 111.591 -172.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.31 73.76 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.834 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -71.35 -13.25 61.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.229 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.77 9.85 Favored Glycine 0 N--CA 1.436 -1.362 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.87 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -163.47 161.28 33.97 Favored Glycine 0 N--CA 1.422 -2.246 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.63 162.17 35.74 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 56.3 m -90.68 128.13 36.54 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.591 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 41.6 t-80 -139.94 151.69 45.76 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -82.35 139.29 34.19 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.37 0.605 . . . . 0.0 110.803 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -151.96 164.7 36.6 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 58.7 t80 -67.65 130.37 93.13 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 59.6 Cg_endo -111.48 23.4 3.04 Favored 'Cis proline' 0 CA--C 1.555 1.569 0 C-N-CA 125.079 -0.8 . . . . 0.0 113.746 -1.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.9 t -159.98 164.64 33.14 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -174.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 50.0 t -68.92 117.32 11.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -116.27 167.36 11.09 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.3 129.16 36.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.45 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 85.3 m-85 -124.3 118.6 27.14 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.4 m -71.85 126.32 29.44 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 124.235 0.96 . . . . 0.0 108.988 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 26.6 mtpp -95.97 104.9 16.86 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -97.96 147.43 24.49 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HA ' HD23 ' A' ' 5' ' ' LEU . 63.3 tt0 -80.26 121.55 25.78 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 C--O 1.265 1.871 0 CA-C-O 117.911 -1.042 . . . . 0.0 109.324 -179.327 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 120.744 0.307 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.12 105.61 0.2 Allowed Glycine 0 N--CA 1.416 -2.639 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.7 t -81.07 122.76 36.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.729 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -92.23 147.72 22.71 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 47.9 mt -118.08 133.81 55.56 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.3 m -105.34 140.13 38.92 Favored 'General case' 0 C--N 1.274 -2.695 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.445 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -78.95 122.98 26.83 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 123.749 0.656 . . . . 0.0 111.236 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.1 t -118.1 116.93 35.56 Favored Pre-proline 0 C--N 1.29 -2.011 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -48.84 132.83 27.13 Favored 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.16 2.574 . . . . 0.0 112.179 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -80.1 106.96 12.51 Favored 'General case' 0 N--CA 1.426 -1.663 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.82 50.46 3.62 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.355 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.443 HG21 ' HG3' ' A' ' 30' ' ' ARG . 7.8 p -152.33 -58.25 0.14 Allowed 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 124.493 1.117 . . . . 0.0 109.002 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -63.67 123.88 19.98 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.515 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.3 m -125.57 124.91 42.3 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.83 -154.18 16.76 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -83.22 139.95 32.82 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.088 0.555 . . . . 0.0 110.298 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 16.6 t -97.15 100.31 11.79 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.04 8.36 27.25 Favored Glycine 0 N--CA 1.438 -1.21 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.88 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -135.52 102.59 5.17 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -69.04 -31.81 70.87 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 m -70.29 -40.79 74.08 Favored 'General case' 0 N--CA 1.433 -1.28 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.15 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -78.07 -32.9 50.99 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.409 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 31.1 t -57.72 -49.18 77.38 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.339 0.59 . . . . 0.0 110.005 176.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 13.5 p -68.22 -47.74 67.02 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.298 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -52.91 -52.28 58.25 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 123.289 0.635 . . . . 0.0 111.393 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -62.74 -40.18 96.4 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.378 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.207 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -67.73 -27.29 66.67 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.389 0.614 . . . . 0.0 110.185 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -83.64 -51.73 7.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.578 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HG3' HG21 ' A' ' 12' ' ' THR . 13.9 mmt85 -82.28 -44.9 15.69 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.047 0.451 . . . . 0.0 112.024 -174.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -99.36 -166.55 1.36 Allowed 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -128.52 78.15 1.82 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.449 0.643 . . . . 0.0 109.705 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.26 114.64 14.01 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.628 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.63 81.93 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.274 -177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -78.89 -11.37 59.99 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.272 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.72 -110.21 3.08 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.968 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -172.84 179.57 44.22 Favored Glycine 0 N--CA 1.417 -2.58 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -176.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.9 164.86 37.7 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.7 m -92.41 121.76 34.2 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -138.67 148.81 44.46 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 36.6 t80 -79.79 133.75 36.32 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.271 0.557 . . . . 0.0 111.071 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -137.86 -76.4 0.39 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.401 174.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 62.1 t80 -175.07 137.45 0.56 Allowed Pre-proline 0 C--N 1.272 -2.773 0 CA-C-N 114.035 -1.439 . . . . 0.0 107.313 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 44.0 Cg_endo -93.94 8.95 53.66 Favored 'Cis proline' 0 CA--C 1.535 0.571 0 C-N-CA 124.072 -1.22 . . . . 0.0 111.057 -3.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -155.84 -179.3 8.0 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.7 t -61.88 121.33 9.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -119.5 164.18 16.18 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.3 t -89.12 121.07 31.08 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.94 128.51 50.37 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.97 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.9 m -75.71 143.03 42.31 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.39 112.26 24.9 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.239 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 13.4 ptm180 -98.96 148.56 23.86 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.302 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -76.3 119.56 20.35 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 123.867 0.729 . . . . 0.0 110.271 -177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 C--N 1.29 -2.011 0 CA-C-O 118.11 -0.948 . . . . 0.0 109.37 178.735 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.0 t70 . . . . . 0 C--O 1.24 0.568 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.25 -42.96 99.93 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 121.522 -0.371 . . . . 0.0 112.464 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.91 152.72 24.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -93.41 111.4 23.05 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 174.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 78.7 mt -103.77 134.79 46.49 Favored 'General case' 0 C--N 1.296 -1.736 0 C-N-CA 120.251 -0.579 . . . . 0.0 109.664 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.4 131.54 50.4 Favored 'General case' 0 C--N 1.279 -2.464 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.92 103.13 9.6 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.57 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -92.66 117.16 67.48 Favored Pre-proline 0 C--N 1.304 -1.387 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.25 116.16 3.21 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.402 2.068 . . . . 0.0 111.295 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.445 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 40.3 t -70.13 119.25 14.05 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.043 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.76 -16.89 57.61 Favored Glycine 0 N--CA 1.429 -1.832 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.0 p -80.23 -27.76 38.69 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-O 121.386 0.613 . . . . 0.0 111.119 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -85.35 128.74 34.81 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -102.3 112.48 25.2 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-O 120.908 0.385 . . . . 0.0 111.564 -177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.14 -141.05 21.23 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 114.687 0.635 . . . . 0.0 114.687 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 71.7 t60 -65.9 135.34 54.66 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 124.491 1.117 . . . . 0.0 112.297 -175.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -96.39 103.0 14.87 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.13 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.85 24.03 20.23 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.094 -1.05 . . . . 0.0 113.002 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.6 t -157.41 106.8 2.16 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 120.663 0.268 . . . . 0.0 110.334 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 -39.68 95.04 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -67.79 -40.33 83.96 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.651 -177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -76.58 -31.25 57.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.981 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 39.4 t -62.05 -48.8 78.62 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.517 0.675 . . . . 0.0 109.545 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.418 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 9.7 p -67.42 -43.18 81.87 Favored 'General case' 0 N--CA 1.427 -1.585 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.535 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.03 -42.82 95.23 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.123 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -53.19 -59.53 4.43 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.494 0.318 . . . . 0.0 111.723 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.4 m -73.07 -26.52 61.3 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -77.28 -31.0 54.57 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.246 0.546 . . . . 0.0 110.62 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -84.68 -41.4 16.32 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.06 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -76.85 -54.71 6.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.175 0.512 . . . . 0.0 111.339 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -107.13 -164.2 0.97 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -112.0 38.47 2.66 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.231 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 33.7 m-85 -78.34 102.75 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.15 -31.1 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.957 0.408 . . . . 0.0 111.847 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -89.55 -9.34 50.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.037 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.11 -89.99 0.34 Allowed Glycine 0 N--CA 1.429 -1.819 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.58 -178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . 172.99 174.89 40.43 Favored Glycine 0 N--CA 1.417 -2.577 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -176.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . . . -146.28 162.21 38.61 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -82.46 111.0 18.08 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.62 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.4 t-160 -113.98 144.8 42.49 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 64.6 t80 -73.62 137.3 44.12 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.501 0.667 . . . . 0.0 111.188 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -139.89 159.49 42.07 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 63.5 t80 -80.43 132.02 60.03 Favored Pre-proline 0 C--N 1.296 -1.758 0 C-N-CA 118.761 -1.176 . . . . 0.0 108.862 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 86.5 Cg_endo -105.12 15.04 10.52 Favored 'Cis proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.882 -0.882 . . . . 0.0 111.76 -4.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 m -138.77 148.16 43.51 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 122.125 -0.359 . . . . 0.0 111.094 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 16' ' ' HIS . 98.3 t -61.62 125.36 17.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.384 -0.825 . . . . 0.0 108.832 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 10' ' ' SER . 84.8 tttt -123.74 164.97 18.08 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.25 125.55 30.45 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.62 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 36.5 m-85 -121.96 116.15 23.82 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.7 m -81.19 116.2 20.97 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.1 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 68.2 mttm -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.438 -174.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -98.93 155.58 17.33 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.996 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.74 123.56 26.84 Favored 'General case' 0 N--CA 1.421 -1.897 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 75.1 m . . . . . 0 C--N 1.286 -2.182 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.957 176.225 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--O 1.24 0.557 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.66 -38.08 94.2 Favored Glycine 0 N--CA 1.436 -1.337 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.968 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -101.23 130.23 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-O 121.099 0.476 . . . . 0.0 110.445 -177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.3 mptt -109.0 144.91 36.38 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.6 mt -124.19 150.96 44.61 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -177.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 m -118.33 143.94 46.24 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -85.1 109.7 18.44 Favored 'General case' 0 CA--C 1.505 -0.778 0 O-C-N 123.621 0.576 . . . . 0.0 111.091 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.0 t -105.41 117.05 59.17 Favored Pre-proline 0 C--N 1.294 -1.81 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -62.63 112.3 1.57 Allowed 'Trans proline' 0 C--O 1.24 0.583 0 C-N-CA 122.114 1.876 . . . . 0.0 111.574 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -70.74 113.18 7.57 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.505 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.0 78.34 Favored Glycine 0 N--CA 1.442 -0.946 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.74 -177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.43 HG23 HE21 ' A' ' 26' ' ' GLN . 7.1 t -77.69 -11.0 59.83 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 121.175 0.512 . . . . 0.0 110.15 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -106.91 106.88 17.63 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.0 t -112.36 138.55 48.93 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.81 -167.25 14.45 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -80.07 142.15 35.17 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 122.44 0.296 . . . . 0.0 110.237 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 32.7 t -103.77 102.95 12.78 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 174.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.2 -1.57 20.41 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.015 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 m -127.6 104.13 7.71 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 122.392 -0.476 . . . . 0.0 109.966 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 p -63.56 -35.25 79.88 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -66.16 -36.58 83.48 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.649 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -79.99 -33.38 39.45 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.394 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 26.1 t -57.57 -50.65 72.41 Favored 'General case' 0 C--O 1.246 0.886 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -66.41 -44.82 81.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.868 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.53 -57.15 12.5 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 123.15 0.58 . . . . 0.0 111.822 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.43 HE21 HG23 ' A' ' 12' ' ' THR . 29.8 tt0 -61.73 -39.85 93.01 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.38 0.425 . . . . 0.0 111.163 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 46.3 t -66.67 -40.81 88.75 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.022 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 56.7 mtmt -74.58 -23.69 58.79 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.417 0.627 . . . . 0.0 110.914 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -75.46 -46.72 30.83 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.365 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -84.52 -54.91 4.43 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 120.406 -0.518 . . . . 0.0 112.244 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.92 -179.74 4.03 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.261 0.553 . . . . 0.0 110.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -107.37 80.22 1.39 Allowed 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.606 0.717 . . . . 0.0 111.71 -177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 64.3 m-85 -116.26 106.14 13.34 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.588 176.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.23 69.09 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.348 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -97.75 -0.26 45.68 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.412 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.46 -118.74 11.29 Favored Glycine 0 N--CA 1.436 -1.313 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.947 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.98 174.03 44.11 Favored Glycine 0 N--CA 1.416 -2.655 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.83 161.21 43.03 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.41 128.92 34.71 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.641 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 34.0 t60 -137.08 148.27 46.63 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 80.2 t80 -74.5 133.9 42.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 122.272 1.034 . . . . 0.0 113.59 -176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -147.07 145.04 29.51 Favored 'General case' 0 N--CA 1.412 -2.358 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 173.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 63.2 t80 -69.1 139.36 90.19 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 73.6 Cg_endo -98.12 -0.45 29.76 Favored 'Cis proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.177 -1.176 . . . . 0.0 113.886 0.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 p -144.38 140.01 28.79 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 119.574 -0.251 . . . . 0.0 110.731 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 90.2 t -47.34 124.24 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.341 1.026 . . . . 0.0 110.464 176.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -115.4 168.73 9.73 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -173.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.0 t -85.59 125.1 32.86 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 55.1 m-85 -119.13 109.72 16.22 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-O 121.122 0.487 . . . . 0.0 111.017 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.6 m -67.4 140.03 57.16 Favored 'General case' 0 N--CA 1.424 -1.773 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.046 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 5' ' ' LEU . 45.4 mmtm -101.56 113.41 26.52 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm85 -100.18 147.38 25.77 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.553 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -72.47 123.77 23.8 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.5 m . . . . . 0 C--N 1.283 -2.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 120.684 0.278 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.57 -31.96 12.38 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.6 p -118.56 144.16 27.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -91.65 110.34 21.67 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-O 121.438 0.637 . . . . 0.0 109.504 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.5 mt -99.45 133.23 44.06 Favored 'General case' 0 N--CA 1.417 -2.082 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.183 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.98 128.26 38.78 Favored 'General case' 0 C--N 1.262 -3.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.175 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -89.54 127.0 35.82 Favored 'General case' 0 CA--C 1.481 -1.691 0 O-C-N 124.282 0.989 . . . . 0.0 109.75 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -121.38 140.36 31.26 Favored Pre-proline 0 C--N 1.282 -2.368 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -59.5 123.17 12.79 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.013 1.809 . . . . 0.0 109.462 176.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -64.76 112.0 3.04 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-O 121.116 0.484 . . . . 0.0 110.453 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.04 -1.73 88.0 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.819 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -108.56 -18.58 13.69 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -89.23 141.21 28.73 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -176.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.6 t -115.63 106.29 13.74 Favored 'General case' 0 N--CA 1.415 -2.176 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.958 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.28 -144.65 18.05 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 115.478 0.951 . . . . 0.0 115.478 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -66.12 137.15 56.84 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 124.953 1.301 . . . . 0.0 111.336 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.5 t -100.57 100.69 11.46 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.27 13.43 18.93 Favored Glycine 0 N--CA 1.433 -1.535 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.7 m -136.91 94.05 2.92 Favored 'General case' 0 N--CA 1.429 -1.514 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 m -64.12 -50.13 69.48 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.926 -176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -65.59 -35.17 80.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.953 0.406 . . . . 0.0 110.44 -177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -66.11 -43.83 86.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.252 177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.5 t -57.14 -45.01 83.93 Favored 'General case' 0 C--O 1.243 0.734 0 O-C-N 123.707 0.629 . . . . 0.0 109.978 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.451 ' HA ' ' N ' ' A' ' 37' ' ' GLY . 14.8 m -60.05 -54.63 43.7 Favored 'General case' 0 C--O 1.248 1.007 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.797 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -61.67 -41.87 98.14 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -68.06 -44.67 75.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.2 m -65.39 -40.24 93.23 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.675 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -70.67 -23.31 62.48 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.642 0.734 . . . . 0.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -75.11 -50.44 16.36 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.418 176.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -67.37 -57.55 6.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . 41.2 mt-10 -120.82 176.45 5.53 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -86.82 76.65 9.42 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.956 0.884 . . . . 0.0 110.696 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 79.1 m-85 -99.28 105.38 17.38 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.403 174.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.35 -26.2 66.42 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 123.572 0.545 . . . . 0.0 112.244 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.03 10.86 17.58 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.084 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.62 -101.75 0.49 Allowed Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.307 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 24' ' ' SER . . . -175.73 168.01 40.13 Favored Glycine 0 N--CA 1.422 -2.251 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 -176.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.75 156.37 45.59 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 117.145 0.473 . . . . 0.0 109.906 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.6 m -76.8 119.93 21.26 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 30.8 t-80 -131.13 127.16 37.52 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.379 0.609 . . . . 0.0 110.747 -177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.8 t80 -85.91 115.7 23.69 Favored 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -130.98 -69.28 0.64 Allowed 'General case' 0 C--N 1.287 -2.11 0 C-N-CA 119.798 -0.761 . . . . 0.0 110.183 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 72.4 t80 -165.1 130.98 2.08 Favored Pre-proline 0 C--N 1.267 -2.996 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.396 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 27.7 Cg_endo -97.71 7.76 35.4 Favored 'Cis proline' 0 CA--C 1.534 0.518 0 C-N-CA 124.693 -0.961 . . . . 0.0 110.374 -5.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.8 m -150.95 -179.39 7.25 Favored 'General case' 0 N--CA 1.433 -1.287 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.617 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.7 p -86.88 115.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.968 0.89 . . . . 0.0 110.855 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -122.05 165.04 16.66 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.594 -1.185 . . . . 0.0 108.116 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.5 t -78.24 125.14 28.93 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 64.1 m-85 -119.53 115.26 23.67 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 176.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.0 m -75.1 140.48 43.47 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -116.94 114.63 24.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -110.7 148.07 33.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.102 176.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -70.81 132.4 45.25 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.302 -1.49 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.358 174.41 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.702 0.287 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.02 -97.21 1.05 Allowed Glycine 0 N--CA 1.432 -1.603 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -121.09 138.15 52.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 177.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -69.12 115.03 7.94 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.854 0.359 . . . . 0.0 111.545 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 53' ' ' GLN . 68.0 mt -125.9 143.24 51.16 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.0 m -110.79 129.97 55.7 Favored 'General case' 0 C--N 1.279 -2.484 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -88.66 107.41 18.92 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 30.6 m -102.35 134.83 19.76 Favored Pre-proline 0 C--N 1.306 -1.299 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.633 -177.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 21.9 Cg_exo -61.96 119.6 6.79 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 122.472 2.115 . . . . 0.0 112.067 -177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 m -79.01 113.41 17.11 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.903 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.89 -17.34 79.32 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 111.828 -0.509 . . . . 0.0 111.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 p -72.33 -22.62 61.15 Favored 'General case' 0 C--N 1.308 -1.219 0 C-N-CA 124.025 0.93 . . . . 0.0 110.947 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 -98.24 135.94 39.15 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 t -133.5 122.15 23.21 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.39 -169.48 12.95 Favored Glycine 0 N--CA 1.421 -2.352 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.353 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -71.55 136.24 47.39 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 123.389 0.676 . . . . 0.0 110.775 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.8 t -90.23 99.88 12.81 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.17 -38.68 3.98 Favored Glycine 0 N--CA 1.427 -1.953 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.544 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.4 t -106.52 109.42 21.33 Favored 'General case' 0 N--CA 1.422 -1.868 0 CA-C-O 120.883 0.373 . . . . 0.0 110.059 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.4 m -64.62 -31.9 73.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.675 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 t -67.19 -40.7 86.55 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.486 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -72.38 -33.19 67.03 Favored 'General case' 0 C--O 1.205 -1.28 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.359 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.7 t -59.54 -47.43 85.58 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 123.318 0.386 . . . . 0.0 110.025 174.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 m -61.73 -48.9 78.63 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.848 0.356 . . . . 0.0 110.264 178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.12 -43.58 91.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -58.32 -48.83 79.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.65 -44.23 96.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.617 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -72.66 -21.9 61.01 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 121.0 0.429 . . . . 0.0 111.6 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -85.7 -49.58 7.86 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.7 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 26' ' ' GLN . 10.1 mpt_? -78.02 -49.54 13.82 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -178.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.49 -165.64 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -128.54 90.09 3.0 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -136.27 108.89 7.45 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.77 -26.6 67.78 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.501 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 96.9 m-85 -88.82 3.16 52.09 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -127.2 36.24 Favored Glycine 0 N--CA 1.437 -1.288 0 CA-C-N 115.681 -0.691 . . . . 0.0 113.151 176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.78 163.55 37.12 Favored Glycine 0 N--CA 1.412 -2.957 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 -176.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.21 162.1 36.51 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.9 m -76.95 115.29 16.61 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 18.1 t60 -120.86 132.09 54.79 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 59.2 t80 -66.06 132.65 49.02 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 121.643 0.735 . . . . 0.0 111.907 -177.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -135.64 159.29 42.09 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 88.5 t80 -80.26 131.84 61.13 Favored Pre-proline 0 C--N 1.291 -1.968 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.509 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 43.9 Cg_endo -104.04 15.91 13.07 Favored 'Cis proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.829 -0.904 . . . . 0.0 112.601 -2.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 p -143.68 142.61 31.07 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.639 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.9 p -66.93 126.01 25.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.578 0.704 . . . . 0.0 110.975 -179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -124.05 165.89 16.7 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.333 -172.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.4 t -76.2 126.59 31.28 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 122.817 0.447 . . . . 0.0 110.038 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 10.4 m-85 -125.48 121.04 32.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.151 177.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 95.9 m -71.51 137.36 48.08 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 120.846 0.355 . . . . 0.0 110.093 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 26.7 mtpp -96.7 103.43 15.35 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -93.99 149.38 21.28 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HA ' HD23 ' A' ' 5' ' ' LEU . 43.8 tt0 -82.32 122.1 27.53 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 70.9 m . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.72 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 CA--C 1.484 -1.57 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.56 -70.83 2.93 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.4 m -96.58 140.49 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.037 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 173.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -89.02 114.1 25.27 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 58.4 mt -103.42 136.12 43.77 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.55 130.62 46.64 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.416 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.61 105.06 11.57 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.07 122.84 41.75 Favored Pre-proline 0 C--N 1.304 -1.41 0 C-N-CA 123.437 0.695 . . . . 0.0 109.81 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.74 114.08 1.84 Allowed 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.486 2.124 . . . . 0.0 111.194 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -61.27 133.2 55.64 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 123.704 0.802 . . . . 0.0 110.806 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.2 -30.92 58.13 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.9 t -66.38 -30.25 70.59 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.464 ' HB3' ' HB3' ' A' ' 48' ' ' CYS . 5.4 t-105 -107.48 110.32 22.23 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.766 -173.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -109.68 131.86 54.67 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.57 -168.38 14.59 Favored Glycine 0 N--CA 1.436 -1.331 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.481 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -65.54 137.41 57.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.387 0.675 . . . . 0.0 111.18 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 31.4 t -116.65 111.54 19.99 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 176.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -131.14 31.68 3.12 Favored Glycine 0 N--CA 1.438 -1.212 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 176.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.0 m -149.19 94.67 2.26 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -58.58 -51.14 71.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.831 0.852 . . . . 0.0 113.019 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 m -69.92 -32.23 70.4 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 122.156 -0.34 . . . . 0.0 111.296 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -68.22 -42.28 80.05 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.9 t -56.22 -50.91 69.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.377 174.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.3 t -59.15 -49.13 79.03 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.754 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -64.16 -44.23 92.72 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -68.0 -38.16 82.29 Favored 'General case' 0 C--O 1.24 0.589 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.98 -56.31 23.28 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.351 175.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.4 -27.18 68.91 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.494 0.496 . . . . 0.0 112.264 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.82 -53.29 9.4 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -79.25 -59.69 2.66 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.93 175.11 8.8 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -120.04 86.29 2.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.78 -0.575 . . . . 0.0 109.61 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -129.1 99.05 5.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.595 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.25 -13.28 57.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.197 -0.911 . . . . 0.0 112.644 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 94.3 m-85 -87.37 -4.62 59.04 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.777 177.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -159.99 43.7 Favored Glycine 0 N--CA 1.433 -1.511 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.73 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.86 168.57 29.98 Favored Glycine 0 N--CA 1.427 -1.931 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.42 161.76 41.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.2 m -81.98 124.34 29.68 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 53.8 t-80 -127.59 132.5 49.81 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 12.2 t80 -90.21 115.11 27.19 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 43' ' ' PHE . 58.8 tt0 -125.72 172.27 9.94 Favored 'General case' 0 C--N 1.268 -2.95 0 N-CA-C 104.694 -2.335 . . . . 0.0 104.694 177.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.501 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 91.2 t80 -68.13 127.34 93.29 Favored Pre-proline 0 C--N 1.278 -2.5 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 174.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 71.9 Cg_endo -103.84 2.65 12.9 Favored 'Cis proline' 0 CA--C 1.557 1.63 0 N-CA-C 114.906 1.079 . . . . 0.0 114.906 -0.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 p -145.35 169.62 17.92 Favored 'General case' 0 C--O 1.249 1.065 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 4.8 p -89.43 117.64 33.16 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 122.148 0.975 . . . . 0.0 110.907 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -124.48 -179.64 4.56 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 44.8 t -87.73 126.47 35.0 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 23.4 m-85 -123.15 118.76 28.41 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 120.966 0.412 . . . . 0.0 110.341 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.4 m -80.39 150.03 29.97 Favored 'General case' 0 C--N 1.289 -2.025 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.412 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 61.8 mttp -98.16 111.1 23.55 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.2 ptm180 -101.01 160.92 13.97 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.556 -0.857 . . . . 0.0 108.912 174.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 131.96 34.21 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.9 m . . . . . 0 C--N 1.294 -1.809 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 176.549 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.6 t70 . . . . . 0 CA--C 1.5 -0.956 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.14 48.32 3.42 Favored Glycine 0 N--CA 1.437 -1.239 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.491 HG13 ' HG ' ' A' ' 5' ' ' LEU . 14.7 p -79.75 147.45 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -71.75 96.65 1.65 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.468 0.652 . . . . 0.0 111.588 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' HG ' HG13 ' A' ' 3' ' ' VAL . 68.8 mt -112.31 124.48 52.57 Favored 'General case' 0 CA--C 1.466 -2.264 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 174.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.3 m -99.05 132.66 44.2 Favored 'General case' 0 C--N 1.254 -3.569 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.569 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 23.5 m-20 -83.3 117.86 23.27 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.295 -175.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.8 109.75 55.1 Favored Pre-proline 0 C--N 1.296 -1.758 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -65.04 130.74 26.58 Favored 'Trans proline' 0 C--N 1.332 -0.331 0 C-N-CA 122.204 1.936 . . . . 0.0 113.207 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.7 m -72.8 122.51 21.68 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.33 -35.19 15.07 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 t -62.26 -36.75 82.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.181 -0.509 . . . . 0.0 110.739 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -72.67 108.58 5.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 p -104.62 107.99 19.21 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.007 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.39 -168.85 18.41 Favored Glycine 0 N--CA 1.42 -2.381 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.799 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -70.5 150.11 46.49 Favored 'General case' 0 C--N 1.302 -1.462 0 C-N-CA 124.194 0.997 . . . . 0.0 111.528 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.9 t -108.49 111.37 23.2 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -130.55 32.13 3.12 Favored Glycine 0 N--CA 1.431 -1.694 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.1 m -152.39 104.94 2.97 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 m -67.17 -52.48 40.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.4 m -63.52 -40.11 96.2 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.402 0.144 . . . . 0.0 111.303 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.3 -36.59 84.61 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.347 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -65.57 -44.81 85.59 Favored 'General case' 0 C--O 1.251 1.142 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.9 m -59.34 -53.35 59.26 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.135 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -63.29 -39.65 95.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.679 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 1.1 tm0? -61.3 -52.49 64.47 Favored 'General case' 0 CA--C 1.504 -0.818 0 C-N-CA 122.577 0.351 . . . . 0.0 111.215 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.15 -28.45 54.18 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 118.587 -1.245 . . . . 0.0 111.399 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -72.86 -27.07 61.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.056 0.455 . . . . 0.0 109.905 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -75.84 -49.4 18.1 Favored 'General case' 0 CA--C 1.498 -1.051 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.842 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 13.4 mmm180 -66.22 -55.8 14.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.519 -177.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -116.37 -172.16 2.13 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.998 0.427 . . . . 0.0 110.323 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -103.69 91.0 3.83 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -128.96 109.24 11.07 Favored 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.771 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.36 64.64 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.824 -176.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -103.11 8.61 38.68 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.86 -106.27 1.05 Allowed Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.226 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.93 167.45 35.99 Favored Glycine 0 N--CA 1.42 -2.392 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . . . -149.18 175.39 11.42 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.68 123.94 28.6 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.8 t60 -134.11 149.24 51.08 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 77.6 t80 -90.39 134.06 34.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.257 1.027 . . . . 0.0 112.786 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -151.27 155.28 38.44 Favored 'General case' 0 C--N 1.275 -2.632 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 168.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 85.8 t80 -61.49 140.38 94.89 Favored Pre-proline 0 C--N 1.292 -1.934 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 69.7 Cg_endo -94.06 -6.16 35.88 Favored 'Cis proline' 0 CA--C 1.539 0.732 0 N-CA-C 115.799 1.423 . . . . 0.0 115.799 4.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -160.17 162.04 33.77 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 64.0 t -58.62 116.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 O-C-N 123.96 0.788 . . . . 0.0 108.928 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -123.45 172.1 8.97 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 44.9 t -74.91 121.37 21.78 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 123.32 0.648 . . . . 0.0 109.647 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.518 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 m-85 -120.47 122.77 41.39 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.687 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.4 m -75.45 136.59 40.68 Favored 'General case' 0 C--N 1.284 -2.262 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.546 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HE2' ' HB3' ' A' ' 38' ' ' ALA . 68.4 mttm -106.85 107.34 18.32 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.854 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 10.6 ptm180 -104.02 158.14 16.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.817 175.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -78.58 121.47 24.67 Favored 'General case' 0 N--CA 1.419 -2.005 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.276 -2.621 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.426 178.101 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 CA--C 1.493 -1.212 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.49 68.74 0.91 Allowed Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 p -121.07 148.73 24.19 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -93.99 147.24 23.31 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 174.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 61.1 mt -118.14 139.33 51.42 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 119.296 -0.962 . . . . 0.0 110.936 -178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.6 m -107.17 131.9 53.63 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -88.67 115.88 26.52 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 -177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -117.56 144.77 34.84 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.96 123.89 14.73 Favored 'Trans proline' 0 C--O 1.24 0.623 0 C-N-CA 122.561 2.174 . . . . 0.0 111.512 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t -80.9 131.8 35.38 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.81 -27.28 35.2 Favored Glycine 0 N--CA 1.434 -1.471 0 C-N-CA 120.164 -1.017 . . . . 0.0 110.613 176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.5 p -69.0 -29.24 67.4 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.108 0.48 . . . . 0.0 112.127 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -110.65 117.08 32.53 Favored 'General case' 0 N--CA 1.427 -1.616 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.358 -175.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -114.73 151.3 33.94 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.68 -155.08 30.23 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.68 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -76.29 132.99 40.15 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.247 0.546 . . . . 0.0 111.063 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.99 101.25 13.58 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.65 -50.31 0.91 Allowed Glycine 0 N--CA 1.43 -1.708 0 C-N-CA 120.117 -1.04 . . . . 0.0 110.706 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -85.18 91.42 8.13 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-O 121.331 0.586 . . . . 0.0 110.064 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.1 t -60.95 -50.96 71.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.545 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.72 -31.95 72.93 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.87 0.366 . . . . 0.0 110.312 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.08 -38.39 75.7 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.786 177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.8 t -67.35 -36.43 81.39 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.593 -0.843 . . . . 0.0 109.547 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.589 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.2 m -59.42 -51.56 69.37 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -60.28 -49.39 77.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 123.626 0.579 . . . . 0.0 110.356 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -54.88 -51.75 65.0 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.638 0.775 . . . . 0.0 111.777 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 44.1 t -69.22 -34.99 75.71 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -70.1 -29.73 66.77 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.704 0.764 . . . . 0.0 110.21 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.51 -50.92 8.82 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.265 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -87.09 -35.99 18.38 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -174.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 41.8 mm-40 -101.48 -173.0 2.26 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 120.887 0.375 . . . . 0.0 110.136 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -109.34 56.43 0.62 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 52' ' ' ARG . 78.3 m-85 -131.96 103.17 6.15 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.5 -29.79 68.11 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 123.405 0.682 . . . . 0.0 112.771 -176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -90.77 -4.3 56.77 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 121.046 0.45 . . . . 0.0 111.379 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.3 -122.0 10.66 Favored Glycine 0 N--CA 1.422 -2.245 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.589 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.84 171.23 35.44 Favored Glycine 0 N--CA 1.415 -2.706 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -177.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.18 167.76 21.34 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.4 m -88.6 130.5 35.25 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 47.0 t-80 -143.97 135.38 25.83 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 67.7 t80 -77.09 132.47 38.89 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.378 0.608 . . . . 0.0 111.209 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -142.98 139.89 30.82 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 87.3 t80 -54.59 129.3 62.75 Favored Pre-proline 0 C--N 1.308 -1.198 0 CA-C-N 118.566 0.621 . . . . 0.0 110.611 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 43.1 Cg_endo -108.65 23.07 5.88 Favored 'Cis proline' 0 CA--C 1.553 1.446 0 N-CA-C 115.138 1.168 . . . . 0.0 115.138 2.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.0 p -151.02 161.88 41.89 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -173.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 96.1 t -72.1 104.35 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 174.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -106.1 165.26 11.35 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.6 131.15 45.79 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 41.2 m-85 -117.57 125.08 50.17 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-N 115.252 -0.885 . . . . 0.0 108.736 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.433 ' HA ' ' CA ' ' A' ' 37' ' ' GLY . 99.3 m -77.84 133.84 38.1 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -99.05 105.91 18.08 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -173.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 11.4 ptm180 -94.48 154.38 17.45 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.66 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -70.45 125.53 27.06 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.819 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.1 m . . . . . 0 C--N 1.3 -1.577 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.081 176.365 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.87 22.02 0.16 Allowed Glycine 0 N--CA 1.433 -1.505 0 C-N-CA 119.267 -1.444 . . . . 0.0 113.242 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 p -81.17 129.37 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.117 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -82.18 124.73 30.15 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.283 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' ARG . 49.0 mt -113.85 136.15 53.19 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.751 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.2 m -107.08 150.49 26.49 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.276 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.45 120.88 31.93 Favored 'General case' 0 CA--C 1.498 -1.045 0 O-C-N 123.398 0.436 . . . . 0.0 110.294 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.44 136.48 27.2 Favored Pre-proline 0 C--N 1.3 -1.56 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.391 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -65.05 126.88 17.28 Favored 'Trans proline' 0 C--O 1.242 0.722 0 C-N-CA 122.213 1.942 . . . . 0.0 111.423 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' OG ' ' HB3' ' A' ' 13' ' ' TRP . 23.7 p -70.48 140.69 51.97 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.532 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.28 -35.53 6.6 Favored Glycine 0 N--CA 1.437 -1.249 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.23 -23.32 51.34 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.411 ' HB3' ' OG ' ' A' ' 10' ' ' SER . 13.9 t-105 -86.44 124.81 33.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -127.7 140.29 52.17 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.72 -149.66 16.64 Favored Glycine 0 N--CA 1.426 -1.971 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -93.28 143.6 26.11 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 123.751 0.82 . . . . 0.0 109.086 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.27 100.88 12.6 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.98 23.09 8.35 Favored Glycine 0 N--CA 1.442 -0.931 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 t -148.79 106.07 3.63 Favored 'General case' 0 N--CA 1.419 -1.994 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -71.66 -31.06 66.41 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.633 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 p -80.01 -41.33 26.02 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.081 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -73.65 -26.78 60.92 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.755 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.8 t -59.27 -51.62 69.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 173.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m -59.28 -51.75 68.6 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-O 121.108 0.48 . . . . 0.0 110.645 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.71 -55.46 34.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.868 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -63.4 -37.65 88.09 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-O 120.585 0.231 . . . . 0.0 110.497 -176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.6 t -54.92 -60.96 2.66 Favored 'General case' 0 C--O 1.299 3.691 0 C-N-CA 123.367 0.667 . . . . 0.0 110.804 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 33' ' ' PHE . 48.0 mtmt -62.33 -50.58 71.06 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.728 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -58.27 -46.35 86.2 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 124.187 0.929 . . . . 0.0 112.337 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -70.17 -67.21 0.51 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -177.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -171.47 22.6 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 117.636 -1.625 . . . . 0.0 114.518 -170.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 70.7 m80 -106.52 -112.92 0.27 Allowed 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.374 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 73.1 m-85 -133.87 153.75 51.53 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.043 -171.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.63 -14.53 61.36 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.501 1.12 . . . . 0.0 112.032 -177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' LYS . 90.7 m-85 -85.55 -1.58 57.25 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 120.956 0.408 . . . . 0.0 111.055 -178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.75 -146.35 38.34 Favored Glycine 0 N--CA 1.437 -1.297 0 CA-C-N 115.73 -0.668 . . . . 0.0 113.107 175.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.41 169.21 41.84 Favored Glycine 0 N--CA 1.414 -2.778 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.6 165.97 27.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.3 m -78.4 119.78 22.21 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 49.0 t-80 -129.52 129.95 45.17 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 49.5 t80 -68.87 140.88 55.19 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.603 0.716 . . . . 0.0 112.43 -176.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -154.07 151.44 29.31 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 75.7 t80 -64.51 137.66 97.2 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 75.0 Cg_endo -101.8 7.81 18.09 Favored 'Cis proline' 0 CA--C 1.553 1.45 0 C-N-CA 124.42 -1.075 . . . . 0.0 114.04 0.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.0 t -160.11 152.13 20.39 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.592 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 3.2 p -58.51 127.34 17.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 O-C-N 123.896 0.747 . . . . 0.0 111.518 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -113.43 164.79 13.15 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.461 -173.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.5 t -82.42 113.55 20.25 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.7 m-85 -107.87 119.69 40.16 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.23 0.538 . . . . 0.0 109.876 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.1 m -85.17 149.01 25.82 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.112 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' TYR . 48.7 mmtm -95.0 107.24 19.28 Favored 'General case' 0 N--CA 1.421 -1.902 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.246 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 10.4 ptm180 -95.52 155.94 16.53 Favored 'General case' 0 C--N 1.285 -2.237 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -85.0 131.97 34.4 Favored 'General case' 0 N--CA 1.412 -2.353 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.5 m . . . . . 0 C--N 1.283 -2.284 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.704 177.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.491 -1.295 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.19 -57.32 3.21 Favored Glycine 0 N--CA 1.434 -1.469 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.4 p -92.34 142.48 13.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 11.1 mptt -93.6 103.38 15.56 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.282 0.563 . . . . 0.0 110.079 -175.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 48.3 mt -103.63 132.4 49.91 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.4 m -104.02 128.6 51.61 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.02 118.66 19.02 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.08 125.94 29.32 Favored Pre-proline 0 C--N 1.31 -1.139 0 C-N-CA 124.328 1.051 . . . . 0.0 109.449 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.38 125.43 15.05 Favored 'Trans proline' 0 C--O 1.245 0.849 0 C-N-CA 122.124 1.882 . . . . 0.0 111.499 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 t -81.14 108.1 14.5 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.67 -13.39 71.56 Favored Glycine 0 C--O 1.239 0.431 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.967 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.9 p -81.92 -14.17 56.5 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.001 0.429 . . . . 0.0 111.32 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -93.68 140.3 29.8 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -135.03 141.0 46.07 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.24 -157.93 25.25 Favored Glycine 0 N--CA 1.428 -1.87 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.208 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -83.54 123.71 30.02 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 123.367 0.667 . . . . 0.0 110.226 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 t -84.18 102.13 12.37 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.55 16.07 19.45 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -146.47 104.79 3.8 Favored 'General case' 0 N--CA 1.427 -1.576 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 23' ' ' CYS . 50.7 m -77.25 -22.24 52.46 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.069 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.5 p -71.91 -41.14 68.25 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.127 0.489 . . . . 0.0 110.057 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -71.35 -35.98 71.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 29.3 t -56.69 -55.96 27.44 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.786 0.678 . . . . 0.0 110.05 174.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 8.5 p -60.33 -46.74 88.84 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.21 -43.55 97.81 Favored 'General case' 0 C--O 1.247 0.946 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 27.0 tt0 -64.61 -45.9 84.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.0 t -53.83 -53.14 56.63 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.282 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -63.66 -34.43 77.83 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.144 0.578 . . . . 0.0 111.625 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.39 -35.44 63.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.108 0.48 . . . . 0.0 110.478 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 4.8 mmp_? -69.25 -54.14 16.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.111 176.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -139.73 150.43 44.81 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -84.04 75.9 10.11 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -92.46 108.23 19.81 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 114.255 -1.339 . . . . 0.0 108.193 173.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -30.58 70.48 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 123.45 0.7 . . . . 0.0 111.539 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -93.58 1.98 56.52 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.088 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.69 -135.93 41.47 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 116.238 -0.437 . . . . 0.0 113.215 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 24' ' ' SER . . . -168.26 167.18 40.04 Favored Glycine 0 N--CA 1.422 -2.235 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -176.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.29 168.12 23.38 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.3 m -76.78 135.85 38.98 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 120.606 0.241 . . . . 0.0 110.526 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.623 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 19.4 t60 -144.39 140.5 29.07 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.518 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 3.4 t80 -89.21 114.97 26.35 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -114.38 -88.76 0.56 Allowed 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.982 173.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 86.7 t80 -159.0 130.22 3.85 Favored Pre-proline 0 C--N 1.278 -2.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.995 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 88.3 Cg_endo -96.28 1.01 40.16 Favored 'Cis proline' 0 N--CA 1.458 -0.578 0 C-N-CA 123.977 -1.26 . . . . 0.0 111.609 -3.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 m -134.56 179.9 6.0 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 -173.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.518 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 39.5 t -75.15 117.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 174.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.42 167.65 11.73 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 41.1 t -81.43 124.66 29.62 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.623 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 29.6 m-85 -122.77 117.58 26.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.995 0.426 . . . . 0.0 111.433 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 77.2 m -80.34 143.5 33.51 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.41 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 92.7 mttt -99.75 100.93 11.95 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 16.4 ptm180 -84.09 143.65 29.57 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.174 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HA ' HD23 ' A' ' 5' ' ' LEU . 9.0 tt0 -83.15 95.41 8.09 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.115 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 52' ' ' ARG . 72.1 m . . . . . 0 C--N 1.309 -1.171 0 CA-C-O 119.061 -0.495 . . . . 0.0 110.272 -176.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.489 -1.392 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.8 -155.12 16.3 Favored Glycine 0 N--CA 1.419 -2.444 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.0 m -87.21 123.55 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.736 0 CA-C-O 121.419 0.628 . . . . 0.0 110.813 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.11 135.41 33.79 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.9 mt -110.78 142.12 43.18 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.676 -175.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.3 m -107.51 133.29 52.2 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 11.3 m-20 -83.57 110.62 18.39 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.222 0.535 . . . . 0.0 110.644 -177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.11 125.33 44.16 Favored Pre-proline 0 C--N 1.295 -1.761 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.8 112.58 1.53 Allowed 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.882 1.722 . . . . 0.0 109.927 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.9 m -67.52 108.84 2.99 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.286 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.96 -16.87 75.03 Favored Glycine 0 CA--C 1.502 -0.753 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 p -68.36 -40.42 81.49 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 114.463 -0.868 . . . . 0.0 110.004 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -98.7 99.43 10.54 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.597 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -107.57 109.34 20.96 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 106.843 -1.539 . . . . 0.0 106.843 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 138.87 -167.84 24.97 Favored Glycine 0 N--CA 1.427 -1.911 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -74.51 130.37 39.47 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 123.911 0.418 . . . . 0.0 110.244 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.67 97.15 8.78 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -109.0 -33.64 2.75 Favored Glycine 0 C--N 1.294 -1.782 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 m -85.66 93.77 8.92 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 114.937 -0.631 . . . . 0.0 109.926 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 m -65.85 -48.4 71.73 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.339 -0.846 . . . . 0.0 113.022 -174.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -66.31 -35.81 81.32 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 120.958 0.409 . . . . 0.0 110.159 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -64.86 -44.0 91.16 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.638 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.38 -48.45 74.28 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.356 0.662 . . . . 0.0 110.473 174.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.476 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 16.9 m -59.21 -52.88 63.76 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.933 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -68.92 -43.91 74.19 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -61.57 -45.05 95.78 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.1 -46.18 91.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.266 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -71.46 -22.87 61.76 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.041 -176.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.04 -44.06 10.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.983 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -75.32 -47.39 27.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.047 0.451 . . . . 0.0 110.611 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -107.17 179.89 4.13 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -120.82 87.39 2.74 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.366 -1.734 . . . . 0.0 111.625 177.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -121.43 118.04 28.39 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.59 74.33 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.2 0.524 . . . . 0.0 111.836 -173.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -90.54 5.37 48.09 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.777 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 57.97 -126.96 43.86 Favored Glycine 0 N--CA 1.429 -1.824 0 CA-C-N 114.629 -1.169 . . . . 0.0 112.228 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.476 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -153.55 170.52 32.34 Favored Glycine 0 N--CA 1.407 -3.284 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.03 163.32 38.45 Favored 'General case' 0 C--N 1.289 -2.046 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.23 135.03 36.66 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.677 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.7 t60 -142.64 141.53 31.92 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -177.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -91.95 128.9 37.96 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.649 0.738 . . . . 0.0 111.306 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -139.68 145.81 38.86 Favored 'General case' 0 C--N 1.279 -2.457 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 172.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.515 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 83.4 t80 -52.24 127.79 39.11 Favored Pre-proline 0 C--N 1.31 -1.137 0 CA-C-N 118.001 0.364 . . . . 0.0 110.589 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 56.2 Cg_endo -115.56 33.64 0.9 Allowed 'Cis proline' 0 CA--C 1.553 1.431 0 CA-C-N 118.912 0.647 . . . . 0.0 112.88 -2.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -150.12 153.22 36.01 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.157 -0.964 . . . . 0.0 112.612 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -80.8 106.5 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -114.91 167.47 10.76 Favored 'General case' 0 C--N 1.286 -2.188 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -172.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -84.52 130.57 34.73 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.677 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 51.6 m-85 -125.2 115.48 20.48 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-O 121.028 0.442 . . . . 0.0 110.759 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.6 m -71.58 133.44 45.75 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.679 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -98.44 105.56 17.72 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.255 0.55 . . . . 0.0 111.29 -178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -89.36 149.7 22.89 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.468 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -80.92 113.8 19.37 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.865 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.299 -1.616 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 177.367 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 CA--C 1.502 -0.874 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.79 -31.75 80.75 Favored Glycine 0 CA--C 1.504 -0.612 0 O-C-N 123.505 0.503 . . . . 0.0 112.142 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.461 HG11 ' HG3' ' A' ' 53' ' ' GLN . 74.5 t -76.24 130.51 36.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -76.03 123.22 25.41 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 51.3 mt -118.27 150.04 40.13 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.111 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.2 m -116.84 145.3 43.64 Favored 'General case' 0 C--N 1.289 -2.065 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -89.53 130.2 35.89 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.1 132.51 24.39 Favored Pre-proline 0 C--N 1.312 -1.056 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.01 125.02 13.45 Favored 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 121.741 1.628 . . . . 0.0 111.056 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 t -84.17 114.28 21.68 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.23 -19.27 78.6 Favored Glycine 0 N--CA 1.438 -1.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.769 -175.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -96.77 20.01 11.62 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 23' ' ' CYS . 61.7 t-105 -95.14 139.76 31.02 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 174.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.7 t -90.64 99.96 12.9 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.442 0.639 . . . . 0.0 111.937 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.85 -125.18 27.55 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 116.038 1.175 . . . . 0.0 116.038 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -75.41 137.49 41.05 Favored 'General case' 0 C--N 1.313 -0.978 0 C-N-CA 124.158 0.983 . . . . 0.0 111.843 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 34.9 t -100.25 109.87 22.11 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -112.65 5.65 26.16 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.484 -177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -154.0 109.58 3.2 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -62.37 -29.39 70.44 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.7 m -74.8 -30.44 61.42 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-O 120.549 0.214 . . . . 0.0 110.86 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -70.31 -38.13 74.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 32.3 t -57.55 -54.0 51.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.11 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.2 p -60.15 -48.22 82.65 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.35 -50.73 72.02 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.542 0.527 . . . . 0.0 110.172 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -67.55 -42.96 81.81 Favored 'General case' 0 C--O 1.195 -1.78 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.127 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.679 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 43.7 t -55.13 -46.34 75.62 Favored 'General case' 0 C--O 1.277 2.518 0 C-N-CA 122.705 0.402 . . . . 0.0 111.121 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -64.15 -45.96 86.18 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.284 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.11 -35.42 78.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.545 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -69.9 -80.78 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -169.5 20.15 0.02 OUTLIER 'General case' 0 C--O 1.247 0.933 0 C-N-CA 118.106 -1.438 . . . . 0.0 114.146 -166.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.679 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 89.3 m-70 -117.05 -97.82 0.46 Allowed 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -176.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 32' ' ' HIS . 8.5 m-85 -141.91 156.38 45.5 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -167.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.36 -14.23 62.8 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 123.197 0.599 . . . . 0.0 111.188 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -75.72 -18.07 59.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.0 -132.55 17.23 Favored Glycine 0 N--CA 1.428 -1.867 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.081 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 51' ' ' LYS . . . -168.12 -179.4 40.59 Favored Glycine 0 N--CA 1.416 -2.636 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.09 160.88 39.15 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.8 m -83.39 113.78 20.98 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 120.683 0.278 . . . . 0.0 110.504 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.669 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 63.1 t60 -119.72 138.87 53.04 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 114.54 12.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.289 0.566 . . . . 0.0 110.415 -175.097 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -109.32 152.78 24.82 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 68.2 t80 -88.29 130.51 45.62 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 79.8 Cg_endo -93.58 -6.92 35.96 Favored 'Cis proline' 0 CA--C 1.549 1.236 0 C-N-CA 123.84 -1.317 . . . . 0.0 115.018 2.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.2 p -129.87 143.35 50.76 Favored 'General case' 0 C--O 1.247 0.971 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 45.5 t -52.75 126.23 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 124.358 1.063 . . . . 0.0 110.397 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -119.44 159.77 23.62 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -174.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 45.1 t -78.77 115.49 18.49 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 24.5 m-85 -106.76 110.48 22.67 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.3 m -74.71 149.14 39.96 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.253 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' HG3' ' HA2' ' A' ' 37' ' ' GLY . 32.3 mtpt -108.93 109.46 20.55 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.126 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ptm180 -87.75 153.22 21.52 Favored 'General case' 0 CA--C 1.496 -1.1 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HG3' HG11 ' A' ' 3' ' ' VAL . 23.2 tt0 -78.9 125.93 30.02 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 C--N 1.292 -1.9 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.559 0.219 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.13 79.69 1.16 Allowed Glycine 0 CA--C 1.498 -1.02 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -119.73 130.22 74.4 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -85.4 127.87 34.52 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 175.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 51' ' ' LYS . 49.8 mt -112.27 160.21 17.87 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.5 m -126.04 142.94 51.3 Favored 'General case' 0 C--N 1.286 -2.174 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.83 122.19 28.35 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.066 0.46 . . . . 0.0 110.93 -177.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 50' ' ' CYS . 58.6 t -110.8 110.89 57.0 Favored Pre-proline 0 C--N 1.295 -1.789 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.13 118.75 5.65 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.059 1.839 . . . . 0.0 111.468 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -69.21 111.46 5.16 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.674 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.51 -28.42 72.4 Favored Glycine 0 C--N 1.322 -0.21 0 O-C-N 123.25 0.344 . . . . 0.0 113.004 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -75.83 -21.07 57.64 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -178.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.457 ' HB2' HE22 ' A' ' 26' ' ' GLN . 2.1 t-105 -105.7 112.19 25.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -123.19 152.73 40.93 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.97 -109.18 2.99 Favored Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.061 -1.066 . . . . 0.0 111.825 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -131.31 130.26 42.53 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.8 t -95.36 99.23 11.19 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.11 38.47 2.75 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.573 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.0 m -153.05 96.71 2.11 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -61.12 -45.58 94.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.167 -175.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 t -67.24 -40.03 86.26 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.025 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.61 -28.36 62.72 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.099 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.3 t -66.92 -44.44 80.69 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.2 m -61.38 -47.84 83.97 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.479 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -54.77 -50.35 68.68 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 123.954 0.902 . . . . 0.0 111.042 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.457 HE22 ' HB2' ' A' ' 13' ' ' TRP . 6.5 tt0 -57.19 -46.23 83.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.104 0.478 . . . . 0.0 110.741 -178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.3 m -65.93 -37.45 86.09 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.241 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -76.18 -21.72 56.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.532 . . . . 0.0 110.507 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -82.11 -54.16 5.51 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.218 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -75.3 -50.86 14.73 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.588 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -106.22 -170.63 1.76 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -128.74 87.55 2.59 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 173.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -128.61 115.61 18.33 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.64 -13.88 62.53 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.387 0.613 . . . . 0.0 111.133 -177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -87.25 -9.2 55.69 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.4 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.25 -127.4 14.45 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.794 -0.639 . . . . 0.0 113.121 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.73 158.73 28.02 Favored Glycine 0 N--CA 1.423 -2.233 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 -177.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.2 155.25 47.94 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 117.666 0.733 . . . . 0.0 110.668 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 77.8 m -73.02 113.14 9.71 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -128.62 128.15 43.63 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.351 -172.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.625 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 t80 -86.14 84.97 7.36 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -99.9 -70.1 0.74 Allowed 'General case' 0 C--N 1.276 -2.607 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.687 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 35.9 t80 -163.76 133.61 3.15 Favored Pre-proline 0 C--N 1.257 -3.446 0 CA-C-N 114.007 -1.451 . . . . 0.0 107.371 -176.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 6.2 Cg_endo -96.74 1.11 38.01 Favored 'Cis proline' 0 C--O 1.244 0.79 0 C-N-CA 124.778 -0.926 . . . . 0.0 110.617 -6.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -145.91 -179.99 7.08 Favored 'General case' 0 C--O 1.253 1.245 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.625 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 2.9 p -83.36 103.92 11.25 Favored 'Isoleucine or valine' 0 C--O 1.246 0.92 0 CA-C-O 122.832 1.301 . . . . 0.0 110.086 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -118.65 171.05 8.46 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 113.417 -1.72 . . . . 0.0 107.362 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.85 124.99 29.55 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -124.6 115.47 20.87 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.89 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 57.1 m -73.25 146.85 45.13 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.173 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' HB3' HD13 ' A' ' 5' ' ' LEU . 97.1 mttt -103.26 109.23 20.76 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.284 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -92.78 150.66 20.49 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -78.21 120.84 23.58 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.5 m . . . . . 0 C--N 1.298 -1.659 0 CA-C-O 118.074 -0.965 . . . . 0.0 108.586 177.658 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.489 -1.391 0 CA-C-O 120.56 0.219 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.99 -26.62 48.45 Favored Glycine 0 N--CA 1.435 -1.419 0 O-C-N 123.964 0.79 . . . . 0.0 112.195 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.8 m -61.81 130.39 26.0 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-O 121.23 0.538 . . . . 0.0 110.651 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -89.91 139.79 30.25 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 42.3 mt -121.43 139.19 53.79 Favored 'General case' 0 C--N 1.289 -2.053 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -178.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 62.7 m -100.33 122.93 43.89 Favored 'General case' 0 C--N 1.277 -2.558 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.632 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 5.3 m-20 -81.3 99.81 8.85 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.1 t -95.34 121.71 61.27 Favored Pre-proline 0 C--N 1.301 -1.532 0 C-N-CA 123.046 0.538 . . . . 0.0 110.495 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -64.24 119.78 6.92 Favored 'Trans proline' 0 C--O 1.25 1.101 0 C-N-CA 122.387 2.058 . . . . 0.0 111.51 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.7 t -64.19 122.89 17.71 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.885 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.35 -35.54 29.41 Favored Glycine 0 N--CA 1.433 -1.516 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -72.86 -39.24 66.63 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.629 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -73.58 114.51 11.9 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 119.633 -0.827 . . . . 0.0 108.89 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.8 p -131.58 148.83 52.65 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.742 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . 105.3 -109.4 3.24 Favored Glycine 0 N--CA 1.435 -1.397 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.556 177.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -131.34 155.9 46.44 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.4 t -135.95 108.11 7.24 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.93 -28.14 8.97 Favored Glycine 0 N--CA 1.436 -1.35 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -118.8 98.86 6.42 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.9 p -62.29 -27.15 68.83 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -72.34 -14.85 61.84 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 121.454 -0.779 . . . . 0.0 111.384 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -76.55 -42.5 42.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.6 p -74.91 -30.51 61.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.2 t -60.31 -46.43 89.89 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -62.35 -46.03 90.49 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.08 -55.16 19.01 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.221 0.951 . . . . 0.0 110.577 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 90.4 m -66.25 -42.81 88.04 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -67.65 -24.27 65.43 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.202 0.456 . . . . 0.0 111.865 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -89.4 -58.99 2.33 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.517 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -74.19 -39.86 62.88 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.679 -175.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -109.58 -172.69 2.09 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.406 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -103.22 27.24 7.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.493 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 98.2 m-85 -90.47 76.87 6.59 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -18.24 65.15 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.296 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 53' ' ' GLN . 91.8 m-85 -85.99 -2.41 58.27 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.467 -179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 -157.7 37.23 Favored Glycine 0 N--CA 1.439 -1.142 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.184 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.25 169.25 34.81 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.21 150.82 43.19 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.9 m -102.43 137.56 40.51 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.013 0.435 . . . . 0.0 110.916 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' HD2' ' O ' ' A' ' 41' ' ' TYR . 7.1 t60 -145.47 143.08 29.8 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 90.6 t80 -75.05 131.52 40.64 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.777 0.798 . . . . 0.0 111.068 178.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -137.56 148.65 46.08 Favored 'General case' 0 C--N 1.274 -2.691 0 N-CA-C 104.366 -2.457 . . . . 0.0 104.366 174.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 88.6 t80 -63.21 132.25 95.04 Favored Pre-proline 0 C--N 1.286 -2.173 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.443 179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 42.4 Cg_endo -105.86 12.85 9.25 Favored 'Cis proline' 0 CA--C 1.55 1.322 0 C-N-CA 124.751 -0.937 . . . . 0.0 114.498 -0.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.517 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 23.5 p -145.76 159.21 43.51 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.988 -0.445 . . . . 0.0 112.081 -173.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.0 t -73.84 113.07 11.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -104.69 143.38 33.17 Favored 'General case' 0 N--CA 1.419 -1.987 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -96.62 129.92 43.93 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.632 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 59.9 m-85 -111.06 107.81 17.32 Favored 'General case' 0 N--CA 1.411 -2.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.7 m -90.24 135.56 33.59 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.869 -176.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 52.9 mtmt -92.45 121.83 34.3 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -107.92 149.74 27.94 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 170.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 35' ' ' TYR . 7.2 tt0 -75.39 126.91 31.97 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 C--N 1.288 -2.084 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.872 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.489 -1.368 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.1 23.76 13.5 Favored Glycine 0 C--N 1.311 -0.824 0 C-N-CA 121.432 -0.413 . . . . 0.0 112.16 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.5 p -58.34 134.53 23.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 C-N-CA 123.471 0.708 . . . . 0.0 110.147 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 3.4 mptp? -87.26 119.82 27.91 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 74.8 mt -106.63 130.4 54.39 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.784 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 63.9 m -96.84 141.08 30.47 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.052 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.502 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 51.0 m-20 -94.21 113.23 25.12 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.697 0.761 . . . . 0.0 111.025 -175.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.2 t -102.38 115.65 64.16 Favored Pre-proline 0 C--N 1.297 -1.708 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.184 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.27 126.29 21.58 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.813 2.342 . . . . 0.0 111.794 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.6 m -76.55 123.05 25.49 Favored 'General case' 0 N--CA 1.425 -1.716 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.61 -20.29 24.95 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.419 -1.473 . . . . 0.0 109.419 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -80.04 -8.95 59.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-O 121.723 0.773 . . . . 0.0 109.2 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -110.4 128.42 55.57 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 173.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.7 m -119.94 127.51 52.73 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.417 0.627 . . . . 0.0 111.983 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.88 -147.37 18.65 Favored Glycine 0 N--CA 1.425 -2.047 0 CA-C-N 115.343 -0.844 . . . . 0.0 113.096 176.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -83.85 136.5 34.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.641 0.734 . . . . 0.0 111.307 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.0 t -102.06 117.09 34.08 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.016 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.67 1.69 42.21 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.883 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.3 t -150.36 113.18 4.77 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 120.848 0.356 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.4 m -66.66 -27.28 67.54 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.075 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 t -76.06 -39.35 55.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.827 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.86 -48.7 80.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.49 -31.3 69.48 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.521 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.453 ' HA ' ' H ' ' A' ' 37' ' ' GLY . 13.4 t -60.3 -49.73 76.44 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.16 -36.3 77.24 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.275 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.03 -53.19 60.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.692 0.282 . . . . 0.0 110.265 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.4 t -70.06 -36.65 75.14 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -177.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.59 -37.52 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.931 0.396 . . . . 0.0 111.018 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.87 -39.54 26.25 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -79.8 -43.64 22.09 Favored 'General case' 0 N--CA 1.428 -1.563 0 CA-C-O 120.683 0.277 . . . . 0.0 111.598 -176.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.84 -165.4 1.07 Allowed 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 122.815 0.446 . . . . 0.0 110.459 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -102.33 21.32 15.26 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -175.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 52' ' ' ARG . 83.0 m-85 -87.99 102.11 14.42 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.689 -174.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.57 -32.47 72.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.161 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -95.03 7.72 45.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.476 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.62 -123.58 33.25 Favored Glycine 0 N--CA 1.433 -1.529 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.442 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 24' ' ' SER . . . -158.02 166.48 34.06 Favored Glycine 0 N--CA 1.414 -2.789 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.29 160.91 38.72 Favored 'General case' 0 C--N 1.281 -2.389 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.6 m -109.12 135.77 49.71 Favored 'General case' 0 C--N 1.284 -2.26 0 C-N-CA 119.61 -0.836 . . . . 0.0 111.473 -174.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -136.15 156.44 48.69 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -173.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -74.9 136.9 41.43 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-O 122.059 0.933 . . . . 0.0 112.461 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -150.0 141.11 23.03 Favored 'General case' 0 N--CA 1.411 -2.41 0 N-CA-C 104.65 -2.352 . . . . 0.0 104.65 172.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -64.4 136.22 96.67 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -94.85 -16.15 12.01 Favored 'Cis proline' 0 CA--C 1.549 1.249 0 C-N-CA 123.758 -1.351 . . . . 0.0 114.819 0.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -128.87 149.23 50.85 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 121.849 -0.532 . . . . 0.0 111.459 -175.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.84 117.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 123.2 0.6 . . . . 0.0 109.857 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -112.86 163.6 14.43 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.372 -174.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.9 t -92.81 141.85 27.98 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 120.972 0.415 . . . . 0.0 110.341 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.502 ' HB3' ' HB3' ' A' ' 7' ' ' ASP . 82.8 m-85 -132.12 119.2 20.62 Favored 'General case' 0 N--CA 1.426 -1.637 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.32 144.21 38.23 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 26.4 mtpp -109.53 107.1 17.09 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.962 -172.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 31.1 ptt85 -97.32 158.05 15.66 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.8 117.54 20.01 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.485 0.714 . . . . 0.0 110.775 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.293 -1.886 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.279 175.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.43 -42.42 6.96 Favored Glycine 0 N--CA 1.442 -0.919 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 176.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -85.61 139.56 17.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -81.01 116.59 21.04 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 47.4 mt -109.4 135.54 50.27 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 121.569 0.699 . . . . 0.0 109.608 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.5 m -106.07 132.23 52.4 Favored 'General case' 0 C--N 1.277 -2.563 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -76.81 109.03 10.26 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 50' ' ' CYS . 9.4 p -102.96 123.35 42.4 Favored Pre-proline 0 C--N 1.307 -1.262 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.53 117.61 3.84 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.933 2.422 . . . . 0.0 111.386 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -73.63 105.92 5.16 Favored 'General case' 0 N--CA 1.429 -1.525 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.54 -23.65 77.56 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -67.91 -27.99 67.12 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 115.147 -0.526 . . . . 0.0 111.342 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -88.64 140.82 29.07 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 m -126.93 114.18 17.5 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.62 -154.7 17.91 Favored Glycine 0 N--CA 1.437 -1.263 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.453 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.435 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 54.1 t60 -77.03 133.39 39.12 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 123.297 0.639 . . . . 0.0 111.2 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 35.1 t -87.5 96.63 10.46 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.5 -35.67 3.26 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -94.39 98.05 10.62 Favored 'General case' 0 N--CA 1.42 -1.963 0 CA-C-N 115.374 -0.413 . . . . 0.0 110.105 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 14.7 m -62.51 -35.48 79.52 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 123.107 0.563 . . . . 0.0 111.14 -178.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -69.19 -36.62 77.51 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -72.43 -36.22 68.52 Favored 'General case' 0 C--O 1.212 -0.913 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.287 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.5 t -51.78 -56.78 11.86 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.118 0.886 . . . . 0.0 110.388 176.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.403 ' HB3' ' H ' ' A' ' 37' ' ' GLY . 8.6 p -66.6 -54.07 27.47 Favored 'General case' 0 N--CA 1.417 -2.125 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.916 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -56.93 -44.41 82.44 Favored 'General case' 0 C--O 1.189 -2.097 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.735 -175.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -62.3 -52.16 64.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.426 ' HB2' ' ND1' ' A' ' 32' ' ' HIS . 26.7 p -74.27 -32.08 62.78 Favored 'General case' 0 C--O 1.261 1.697 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.318 -175.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -67.5 -43.29 81.24 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.387 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.38 -39.61 94.99 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 123.324 0.65 . . . . 0.0 109.658 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 15.6 tpp180 -61.29 -82.07 0.02 OUTLIER 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.075 176.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 30' ' ' ARG . 28.7 mt-10 179.05 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.865 1.666 . . . . 0.0 108.999 -177.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' ND1' ' HB2' ' A' ' 27' ' ' CYS . 61.8 m80 -140.32 -96.29 0.15 Allowed 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.72 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -146.32 145.8 30.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -174.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.67 -20.22 66.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.588 0.555 . . . . 0.0 111.582 -177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -67.98 -23.63 65.05 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.786 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.85 5.3 Favored Glycine 0 N--CA 1.423 -2.215 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.19 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 24' ' ' SER . . . -176.14 -176.78 44.63 Favored Glycine 0 N--CA 1.417 -2.578 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.631 -176.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.4 163.11 39.69 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.6 m -84.44 127.85 34.25 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.643 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 74.7 t60 -141.7 144.44 34.08 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 2.6 t80 -86.92 125.72 34.22 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.673 -0.642 . . . . 0.0 111.69 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -133.3 -84.81 0.45 Allowed 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.024 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 67.9 t80 -158.77 136.15 7.05 Favored Pre-proline 0 C--N 1.274 -2.693 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.153 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 1.8 Cg_endo -89.17 -10.51 39.33 Favored 'Cis proline' 0 CA--C 1.529 0.259 0 C-N-CA 123.702 -1.374 . . . . 0.0 110.556 -4.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 m -131.53 -178.49 4.88 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.646 -174.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 58.2 t -55.84 122.85 5.69 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 171.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -116.32 159.75 21.47 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -173.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 32.2 t -84.09 132.61 34.69 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.643 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 32.9 m-85 -125.56 117.32 23.32 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.458 ' O ' HG12 ' A' ' 8' ' ' VAL . 32.8 m -78.92 144.08 35.2 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.1 mttt -95.59 107.54 19.73 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 119.592 -0.843 . . . . 0.0 111.315 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -88.15 141.18 28.77 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.018 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.46 115.8 13.27 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.794 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 76.6 m . . . . . 0 C--N 1.295 -1.782 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.226 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 CA--C 1.506 -0.714 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.26 -70.02 2.87 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 112.285 -0.326 . . . . 0.0 112.285 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 p -89.7 141.95 13.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 9.5 mptt -95.35 122.93 38.57 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.4 mt -114.01 162.16 16.79 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.387 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -124.2 117.4 24.52 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.33 103.4 4.71 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.041 0.448 . . . . 0.0 110.302 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.0 t -103.59 118.59 57.15 Favored Pre-proline 0 C--N 1.311 -1.096 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.63 130.4 23.39 Favored 'Trans proline' 0 C--O 1.246 0.89 0 C-N-CA 122.477 2.118 . . . . 0.0 111.834 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.5 m -98.85 132.97 43.79 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-O 121.141 0.496 . . . . 0.0 111.73 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.66 -7.65 74.86 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 p -76.46 -24.8 53.87 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.899 0.88 . . . . 0.0 110.44 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 46.7 t-105 -91.46 135.41 33.86 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -101.09 112.83 25.4 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.87 -126.79 7.69 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 116.266 1.266 . . . . 0.0 116.266 170.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -84.18 145.04 28.58 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 124.249 1.019 . . . . 0.0 112.172 -170.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 49.8 t -112.2 107.52 16.44 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.41 -32.94 2.61 Favored Glycine 0 C--N 1.302 -1.356 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 p -99.29 104.37 16.28 Favored 'General case' 0 N--CA 1.416 -2.164 0 CA-C-O 121.568 0.699 . . . . 0.0 110.559 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 m -70.31 -33.65 71.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.334 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -69.67 -40.18 76.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -67.64 -40.44 84.58 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 121.079 -0.249 . . . . 0.0 110.422 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 17' ' ' CYS . 13.4 t -52.63 -56.37 15.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.178 0.924 . . . . 0.0 110.073 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.579 ' HA ' ' HA3' ' A' ' 37' ' ' GLY . 4.3 p -65.98 -46.95 76.18 Favored 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.64 -46.39 89.14 Favored 'General case' 0 C--O 1.197 -1.677 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -67.44 -45.45 76.02 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 118.179 0.445 . . . . 0.0 111.061 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 45.7 t -67.4 -44.27 79.26 Favored 'General case' 0 C--O 1.268 2.063 0 CA-C-O 121.843 0.83 . . . . 0.0 110.529 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -75.39 -21.59 58.14 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.924 -1.034 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.56 -36.06 45.09 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 174.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 31' ' ' GLU . 21.3 tpp180 -65.6 -70.81 0.22 Allowed 'General case' 0 N--CA 1.411 -2.414 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.916 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 10.6 pt-20 -178.42 12.28 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.276 51.6 m-70 -89.84 -94.08 0.12 Allowed 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -166.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -143.18 163.43 32.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 118.523 0.602 . . . . 0.0 110.683 -172.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.26 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.316 0.579 . . . . 0.0 110.477 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.31 20.08 12.13 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 24' ' ' SER . . . -71.24 69.64 0.85 Allowed Glycine 0 N--CA 1.427 -1.943 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -169.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 24' ' ' SER . . . 153.06 121.5 0.86 Allowed Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.312 -0.947 . . . . 0.0 114.205 166.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -153.37 144.16 22.73 Favored 'General case' 0 N--CA 1.422 -1.851 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 174.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.3 m -76.1 120.65 21.7 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.613 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 3.7 t-160 -129.64 131.69 46.51 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -177.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 86.6 t80 -66.53 132.04 47.35 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.829 0.823 . . . . 0.0 111.677 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -132.97 157.27 45.59 Favored 'General case' 0 C--N 1.278 -2.515 0 N-CA-C 104.671 -2.344 . . . . 0.0 104.671 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 64.2 t80 -82.82 131.69 53.69 Favored Pre-proline 0 C--N 1.282 -2.342 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 66.4 Cg_endo -100.16 2.28 23.46 Favored 'Cis proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.357 -1.101 . . . . 0.0 113.463 -1.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 p -129.13 149.28 51.01 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -174.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 57.5 t -67.27 122.55 18.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -123.58 166.99 14.51 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.44 110.97 18.61 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 123.628 0.771 . . . . 0.0 110.089 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 6.6 m-85 -107.36 123.84 48.95 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.81 112.37 24.1 Favored 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.429 -177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -73.24 119.46 17.51 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.378 -176.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -95.11 155.12 16.86 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -82.12 130.81 35.19 Favored 'General case' 0 C--N 1.287 -2.143 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.294 -1.815 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.61 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 CA--C 1.503 -0.829 0 CA-C-O 121.24 0.543 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.92 40.81 0.02 OUTLIER Glycine 0 N--CA 1.43 -1.717 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -94.92 142.43 13.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 120.786 0.327 . . . . 0.0 110.221 -174.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -81.15 108.25 14.65 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 51' ' ' LYS . 61.3 mt -97.14 145.96 25.51 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.332 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -117.16 139.53 50.64 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.097 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -83.9 110.38 18.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.599 0.562 . . . . 0.0 111.013 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.25 121.87 39.24 Favored Pre-proline 0 C--N 1.301 -1.51 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 122.25 11.15 Favored 'Trans proline' 0 C--O 1.245 0.827 0 C-N-CA 122.388 2.058 . . . . 0.0 111.436 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.2 m -67.38 104.0 1.42 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.475 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.16 -23.23 78.02 Favored Glycine 0 CA--C 1.504 -0.623 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -94.55 14.85 19.57 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.221 0.534 . . . . 0.0 110.979 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.51 ' CE3' ' HA ' ' A' ' 23' ' ' CYS . 73.8 t-105 -111.37 133.61 53.56 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 173.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.9 t -91.83 102.19 14.79 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-O 121.153 0.501 . . . . 0.0 112.18 -175.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.98 -123.68 18.78 Favored Glycine 0 C--O 1.245 0.806 0 N-CA-C 116.294 1.278 . . . . 0.0 116.294 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -67.52 131.85 46.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 123.726 0.81 . . . . 0.0 112.428 -173.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.68 98.07 11.19 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.57 -43.03 2.79 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 119.9 -1.143 . . . . 0.0 110.304 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.4 t -103.45 109.43 21.07 Favored 'General case' 0 N--CA 1.423 -1.808 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -62.18 -37.06 83.84 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.161 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 t -68.75 -40.4 79.8 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-O 121.15 0.5 . . . . 0.0 110.542 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -72.76 -38.11 67.46 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.781 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 4.7 p -65.92 -43.63 87.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 119.741 -0.784 . . . . 0.0 110.068 -177.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.5 p -65.19 -51.08 63.26 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.159 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -59.73 -43.52 94.16 Favored 'General case' 0 C--O 1.212 -0.901 0 O-C-N 123.558 0.536 . . . . 0.0 111.12 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -66.84 -46.18 75.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.005 0.431 . . . . 0.0 110.835 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 52.0 t -56.52 -51.11 69.76 Favored 'General case' 0 C--O 1.269 2.088 0 C-N-CA 124.296 1.038 . . . . 0.0 109.846 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -60.97 -54.93 38.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 126.433 1.893 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -58.73 -37.27 75.8 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 123.896 0.879 . . . . 0.0 111.721 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -75.91 -73.72 0.25 Allowed 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -157.4 29.25 0.29 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 118.971 0.805 . . . . 0.0 113.039 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . 0.297 79.1 m80 -118.66 -109.68 0.35 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -175.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -137.28 150.65 47.95 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.165 -170.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.41 -3.06 28.24 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.16 0.584 . . . . 0.0 112.151 -176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -88.1 -10.25 50.67 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.455 175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.79 -138.47 33.47 Favored Glycine 0 N--CA 1.434 -1.457 0 C-N-CA 120.487 -0.864 . . . . 0.0 111.555 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.84 -172.88 38.23 Favored Glycine 0 N--CA 1.421 -2.304 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.62 168.15 24.38 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.6 m -83.12 129.22 35.0 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.51 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 9.1 t60 -134.4 144.29 48.1 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 57.3 t80 -80.12 134.82 36.2 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.536 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -145.67 161.36 40.05 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 104.612 -2.366 . . . . 0.0 104.612 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -73.22 135.56 79.5 Favored Pre-proline 0 C--N 1.286 -2.165 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -108.2 22.35 6.49 Favored 'Cis proline' 0 CA--C 1.55 1.303 0 CA-C-N 119.633 0.905 . . . . 0.0 113.251 -0.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -159.25 157.23 30.24 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 41' ' ' TYR . 59.3 t -66.65 118.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -123.42 165.56 16.84 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -176.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.8 t -91.56 139.62 30.52 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.704 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 40' ' ' HIS . 31.0 m-85 -125.21 120.23 30.71 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.354 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -90.71 143.83 26.34 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.196 0.522 . . . . 0.0 111.375 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 54.6 mtmt -93.79 117.27 29.87 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.428 -172.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 5.0 ptm180 -104.82 151.29 23.98 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 177.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -77.51 117.58 19.1 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 123.593 0.558 . . . . 0.0 110.341 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 175.684 . . . . . . . . 0 0 . 1 stop_ save_