data_2myy_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 2myy _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 ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 111.518 -0.633 . . . . 55.12 111.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -97.39 129.92 44.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.727 -0.472 . . . . 71.05 109.727 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -120.77 161.52 21.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.586 -0.279 . . . . 71.52 110.537 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.7 149.86 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 74.04 110.53 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 46' ' ' VAL . 47.0 t -99.19 125.11 52.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 109.02 -0.733 . . . . 75.34 109.02 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 45' ' ' VAL . 45.5 mt -108.9 168.97 8.97 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.885 0.74 . . . . 73.02 110.197 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.4 tt -146.84 148.56 16.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.118 -0.492 . . . . 72.04 110.456 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 38.3 t-20 -114.43 150.05 35.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.297 -1.371 . . . . 75.55 107.297 168.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 28' ' ' GLU . 12.2 m-20 -54.14 -18.72 4.04 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.267 0.839 . . . . 61.45 113.267 -168.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 4.9 mp0 -81.44 29.26 0.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.943 -0.391 . . . . 73.21 109.943 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 26' ' ' ASP . 29.2 mm-40 49.84 35.65 9.74 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.488 0.715 . . . . 74.33 111.386 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 30.6 mm-40 -83.81 116.21 22.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.722 . . . . 74.21 109.11 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -106.93 143.78 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.225 -0.287 . . . . 74.33 110.225 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 t -154.75 162.93 40.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.641 . . . . 53.22 109.268 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.1 tp -119.15 116.96 27.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 74.5 109.848 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -114.15 135.67 22.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 64.11 110.189 -171.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -84.37 154.35 12.33 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.902 2.401 . . . . 51.42 112.954 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -14.9 60.19 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.833 -0.622 . . . . 75.53 111.269 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -79.51 0.8 28.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.028 -0.533 . . . . 72.31 111.162 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.67 152.83 49.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 71.31 110.431 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -84.71 148.54 26.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.884 -0.413 . . . . 73.44 109.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 120.04 57.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 54.22 110.6 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.43 129.59 21.74 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.714 2.276 . . . . 75.04 112.573 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.55 34.25 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.833 -0.621 . . . . 52.4 110.636 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -19.97 27.51 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 111.468 -0.653 . . . . 61.12 111.468 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -111.43 130.86 55.57 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.831 -0.433 . . . . 65.54 109.831 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -108.03 144.65 35.07 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.645 0.26 . . . . 75.23 110.345 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.486 ' HA ' HD21 ' A' ' 23' ' ' LEU . 32.0 t -75.66 113.41 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 42.52 110.654 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -89.43 -32.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.96 0.41 . . . . 72.54 110.016 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -131.21 121.57 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 72.55 108.743 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.53 173.94 11.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.354 -0.451 . . . . 73.14 112.719 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.02 115.0 1.97 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.058 0.456 . . . . 70.24 110.981 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.461 ' HB1' ' HG ' ' A' ' 54' ' ' SER . . . -141.61 166.6 24.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 71.22 109.976 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 m -55.98 139.38 46.68 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 110.235 -0.283 . . . . 62.51 110.235 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -47.7 -34.65 8.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.534 0.568 . . . . 62.34 112.534 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.12 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.851 0.315 . . . . 62.54 111.851 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.461 ' HG ' ' HB1' ' A' ' 50' ' ' ALA . 28.9 p -64.88 -42.35 94.89 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.285 -0.635 . . . . 73.43 109.285 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.453 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.8 m -55.69 -53.47 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.06 -0.973 . . . . 65.34 110.579 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.042 -0.527 . . . . 64.2 111.016 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.49 -43.1 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.141 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -65.62 -54.38 28.55 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.03 -0.532 . . . . 75.13 110.755 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 55' ' ' CYS . 74.1 t . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 120.935 0.398 . . . . 73.44 110.878 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.726 0 N-CA-C 111.263 -0.735 . . . . 55.12 111.263 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.0 mtp -74.58 127.62 33.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.726 -0.472 . . . . 71.05 109.726 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 7.5 m-85 -126.13 169.91 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 71.52 110.1 -177.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.51 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -120.86 159.48 25.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.833 0.349 . . . . 74.04 110.765 175.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.521 ' O ' HG21 ' A' ' 46' ' ' VAL . 30.7 t -108.13 127.91 63.98 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.341 -0.985 . . . . 75.34 108.341 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 45' ' ' VAL . 67.1 mt -105.72 173.41 6.32 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.727 0.642 . . . . 73.02 111.016 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.465 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 10.9 tt -149.4 154.91 8.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.537 174.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.8 t-20 -125.26 150.19 47.29 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.64 -1.245 . . . . 75.55 107.64 168.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.24 -13.72 5.69 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.098 0.874 . . . . 61.45 112.969 -167.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.684 ' HG3' ' HG2' ' A' ' 29' ' ' GLN . 4.3 pt-20 -90.42 35.14 0.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.821 -0.807 . . . . 73.21 108.821 168.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' ASN . 36.0 mt-10 56.21 24.15 7.79 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 114.486 -1.234 . . . . 74.33 111.784 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.684 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 78.0 mm-40 -70.34 156.5 39.22 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.342 -0.614 . . . . 74.21 109.342 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -144.35 153.21 41.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.269 -0.271 . . . . 74.33 110.269 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 t -173.58 146.34 1.31 Allowed 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.916 -0.772 . . . . 53.22 108.916 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.98 115.48 30.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.165 -0.68 . . . . 74.5 109.165 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -115.06 134.11 22.57 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.585 -0.28 . . . . 64.11 110.39 -172.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 67.5 Cg_endo -82.73 154.74 15.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.682 2.255 . . . . 51.42 113.393 -176.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 p -62.17 -21.2 64.88 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.459 -0.791 . . . . 75.53 111.151 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -80.17 6.55 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.388 -0.824 . . . . 72.31 111.17 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.49 153.28 43.5 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.141 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.66 150.72 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.601 -0.272 . . . . 73.44 110.875 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.68 119.85 69.14 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-N 115.75 -0.659 . . . . 54.22 110.411 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.81 133.94 38.37 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.482 2.121 . . . . 75.04 112.202 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.46 128.24 33.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.052 -0.522 . . . . 52.4 110.381 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.85 -18.26 29.28 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.702 -0.559 . . . . 61.12 111.702 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -111.35 144.49 40.46 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.567 -0.531 . . . . 65.54 109.567 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -122.34 150.41 42.43 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.957 -0.386 . . . . 75.23 109.957 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' HA ' HD21 ' A' ' 23' ' ' LEU . 40.8 t -79.9 118.66 27.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 42.52 110.385 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 22' ' ' VAL . 4.3 m -95.23 -34.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.187 0.518 . . . . 72.54 109.864 176.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -125.4 113.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.836 -0.802 . . . . 72.55 108.836 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.98 -178.87 6.93 Favored Glycine 0 CA--C 1.52 0.4 0 O-C-N 123.463 0.477 . . . . 73.14 113.335 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 1.8 mp0 -55.14 119.02 4.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 122.57 0.348 . . . . 70.24 110.762 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.95 166.77 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 71.22 110.462 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.6 t -59.86 155.57 16.09 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.718 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.404 ' O ' HG22 ' A' ' 56' ' ' VAL . 14.1 tpt180 -53.02 -49.62 65.91 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.945 -0.571 . . . . 62.34 111.422 -174.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.72 67.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.874 0.369 . . . . 62.54 111.664 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -67.44 -48.95 65.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.475 0.655 . . . . 73.43 110.111 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.438 ' O ' HG21 ' A' ' 59' ' ' VAL . 36.0 m -59.53 -48.71 80.59 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 65.34 110.307 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 52' ' ' ARG . 95.2 t -60.44 -40.66 84.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.199 -0.455 . . . . 64.2 110.617 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.69 -47.15 86.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.984 -0.553 . . . . 72.21 110.176 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -64.08 -43.56 95.05 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.784 -0.366 . . . . 75.13 110.941 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 55' ' ' CYS . 71.9 t . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 120.918 0.389 . . . . 73.44 110.173 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 111.612 -0.595 . . . . 55.12 111.612 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.6 mtp -90.18 127.5 36.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.331 -0.618 . . . . 71.05 109.331 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' HB2' HD12 ' A' ' 32' ' ' LEU . 4.9 m-85 -128.64 161.62 29.23 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.552 -0.536 . . . . 71.52 109.552 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.13 147.17 34.19 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.627 0.251 . . . . 74.04 110.916 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 46' ' ' VAL . 92.0 t -96.74 129.11 47.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.328 -0.619 . . . . 75.34 109.328 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 45' ' ' VAL . 44.5 mt -113.13 169.99 8.54 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.866 -0.606 . . . . 73.02 110.279 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.4 tt -147.69 148.26 16.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.412 -0.358 . . . . 72.04 110.742 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.2 t30 -119.78 155.29 32.81 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.484 -0.932 . . . . 75.55 108.484 169.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 28' ' ' GLU . 36.6 t70 -50.5 -31.19 14.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.287 0.847 . . . . 61.45 113.287 -165.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.1 mp0 -74.57 29.51 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 122.19 -0.319 . . . . 73.21 111.124 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 26' ' ' ASP . 78.8 mm-40 50.37 32.52 6.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 122.666 0.386 . . . . 74.33 111.187 -173.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 90.0 mt-30 -72.47 115.65 11.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.679 -1.23 . . . . 74.21 107.679 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -108.41 131.93 54.27 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.918 -0.771 . . . . 74.33 108.918 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -154.15 178.02 10.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.122 0.487 . . . . 53.22 110.762 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 20' ' ' PHE . 42.2 tp -133.72 136.24 44.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.331 -0.849 . . . . 74.5 109.484 -174.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -132.09 131.49 22.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 110.419 -0.215 . . . . 64.11 110.419 -174.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 87.5 Cg_endo -77.97 155.82 30.29 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.594 2.196 . . . . 51.42 113.11 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.5 p -64.59 -13.95 55.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.798 -0.637 . . . . 75.53 111.322 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -77.12 -17.89 58.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.966 -0.561 . . . . 72.31 111.645 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.9 175.19 5.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.66 0.267 . . . . 71.31 111.214 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -107.35 152.61 23.92 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.089 -0.505 . . . . 73.44 110.713 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.94 122.92 84.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.942 -0.572 . . . . 54.22 110.819 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.92 133.39 29.05 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.61 2.207 . . . . 75.04 111.892 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.16 128.43 24.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.78 -0.646 . . . . 52.4 111.066 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.79 -28.2 12.89 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.052 -0.522 . . . . 61.12 111.908 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -95.01 134.09 38.07 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 110.321 -0.252 . . . . 65.54 110.321 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -109.56 150.3 28.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.205 -0.295 . . . . 75.23 110.205 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' HA ' HD22 ' A' ' 23' ' ' LEU . 36.3 t -81.83 114.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 42.52 110.524 -178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -90.61 -32.08 5.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.175 0.512 . . . . 72.54 110.017 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.96 125.39 26.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.909 -0.774 . . . . 72.55 108.909 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.5 176.16 14.74 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.336 -0.459 . . . . 73.14 112.317 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -55.34 111.19 0.82 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.435 0.636 . . . . 70.24 111.343 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.53 166.76 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.253 -0.885 . . . . 71.22 109.746 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -53.62 132.87 41.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.306 -0.406 . . . . 62.51 109.952 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.62 -38.76 15.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.814 -0.63 . . . . 62.34 111.403 -172.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.61 84.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.794 -0.184 . . . . 62.54 111.369 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -60.36 -39.99 89.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.51 0.672 . . . . 73.43 109.484 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.424 ' O ' HG21 ' A' ' 59' ' ' VAL . 57.3 m -62.63 -47.07 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.866 -1.061 . . . . 65.34 110.777 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 52' ' ' ARG . 86.4 t -64.56 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.373 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.723 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.37 -56.96 15.15 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.554 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 55' ' ' CYS . 64.1 t . . . . . 0 N--CA 1.464 0.249 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.906 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.136 0 N-CA-C 111.926 -0.47 . . . . 55.12 111.926 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.8 mtp -86.84 142.37 28.12 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.695 -0.854 . . . . 71.05 108.695 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' A' ' 32' ' ' LEU . 12.2 m-85 -128.55 152.71 47.98 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.24 -0.184 . . . . 71.52 110.509 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' A' ' 35' ' ' THR . 0.2 OUTLIER -107.43 147.55 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.889 -0.412 . . . . 74.04 109.889 171.544 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.528 ' O ' HG21 ' A' ' 46' ' ' VAL . 57.2 t -97.55 122.82 49.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 109.16 -0.681 . . . . 75.34 109.16 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.7 mt -109.53 160.22 16.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.602 -0.726 . . . . 73.02 109.808 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.9 tt -134.97 128.59 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.711 -0.477 . . . . 72.04 109.711 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 28.3 t-20 -77.18 147.94 36.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.99 -1.115 . . . . 75.55 107.99 173.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.476 ' C ' ' H ' ' A' ' 28' ' ' GLU . 7.7 t70 -54.51 -26.12 29.75 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.066 0.854 . . . . 61.45 110.522 -173.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.65 21.11 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.399 -0.819 . . . . 73.21 111.266 172.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 26' ' ' ASP . 47.4 mt-10 61.3 29.25 18.54 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.267 0.627 . . . . 74.33 110.754 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 88.1 mt-30 -89.85 125.1 35.21 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.763 -0.375 . . . . 74.21 110.705 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -84.47 142.15 30.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.209 -0.293 . . . . 74.33 110.209 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 p -155.18 162.71 40.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.438 . . . . 53.22 111.142 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 20' ' ' PHE . 31.5 tp -128.6 129.92 46.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.637 -0.875 . . . . 74.5 108.637 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -129.88 135.55 27.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.239 -0.282 . . . . 64.11 110.239 -172.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -79.23 151.74 23.51 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.682 2.255 . . . . 51.42 113.139 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.443 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 15.0 p -59.12 -30.57 68.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.341 -0.845 . . . . 75.53 112.093 -177.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.8 -25.34 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.842 -0.617 . . . . 72.31 111.069 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.83 147.91 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.582 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -87.23 149.62 24.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 73.44 110.45 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.14 121.57 78.94 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.04 -0.527 . . . . 54.22 110.902 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.29 131.93 18.55 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.653 2.236 . . . . 75.04 112.494 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.54 128.39 31.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.918 -0.583 . . . . 52.4 111.205 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 -23.41 21.32 Favored Glycine 0 N--CA 1.454 -0.165 0 N-CA-C 110.984 -0.846 . . . . 61.12 110.984 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 25' ' ' ASN . 59.3 m95 -103.64 122.26 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.855 -0.795 . . . . 65.54 108.855 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -100.86 143.77 30.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.16 -0.311 . . . . 75.23 110.16 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.2 t -75.43 123.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 42.52 110.345 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 22' ' ' VAL . 2.3 m -101.67 -34.52 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.598 -0.519 . . . . 72.54 109.598 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.84 120.22 19.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.487 -0.931 . . . . 72.55 108.487 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.26 -178.68 7.28 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.226 -0.511 . . . . 73.14 112.598 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.72 114.72 1.81 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.175 0.512 . . . . 70.24 110.673 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -140.94 166.96 23.36 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.633 -0.712 . . . . 71.22 110.462 -175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.5 t -62.46 152.91 33.08 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.721 -0.672 . . . . 62.51 111.082 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' O ' HG21 ' A' ' 56' ' ' VAL . 18.4 tpt180 -47.31 -52.66 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.782 -1.099 . . . . 62.34 112.638 -176.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.96 79.28 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.0 0.37 . . . . 62.54 112.0 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 m -56.6 -47.29 79.9 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.401 0.62 . . . . 73.43 110.209 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.426 ' O ' HG22 ' A' ' 59' ' ' VAL . 61.9 m -61.68 -51.35 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.996 -1.002 . . . . 65.34 111.001 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 52' ' ' ARG . 76.4 t -58.37 -44.33 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 120.948 0.404 . . . . 64.2 110.674 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 72.21 110.521 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.38 -46.29 87.17 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.472 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 55' ' ' CYS . 86.4 t . . . . . 0 C--O 1.235 0.308 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.733 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 CA-C-O 120.987 0.215 . . . . 55.12 112.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.7 mmm -104.11 126.8 51.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.594 -0.891 . . . . 71.05 108.594 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' HB2' HD11 ' A' ' 32' ' ' LEU . 3.6 m-85 -133.42 154.13 51.03 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.273 -0.64 . . . . 71.52 109.273 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 142.88 34.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.283 -0.265 . . . . 74.04 110.283 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.5 ' O ' HG21 ' A' ' 46' ' ' VAL . 61.8 t -94.46 124.22 46.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 N-CA-C 109.093 -0.706 . . . . 75.34 109.093 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 45' ' ' VAL . 48.3 mt -106.84 167.11 10.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.661 -0.7 . . . . 73.02 110.185 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 28' ' ' GLU . 8.1 tt -146.92 136.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.104 -0.498 . . . . 72.04 110.036 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -92.36 150.97 20.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.481 -0.933 . . . . 75.55 108.481 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.09 -7.7 2.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.023 0.827 . . . . 61.45 112.252 -171.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.713 ' HG3' ' HB2' ' A' ' 29' ' ' GLN . 10.0 pt-20 -82.71 16.64 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.635 -0.505 . . . . 73.21 109.635 169.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 24' ' ' ILE . 40.9 mt-10 58.23 40.27 24.94 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 121.681 0.753 . . . . 74.33 110.238 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.713 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.0 116.63 32.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.33 -0.85 . . . . 74.21 110.109 -179.603 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -87.17 144.37 26.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.752 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 t -149.1 165.66 31.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.348 -0.612 . . . . 53.22 109.348 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 20' ' ' PHE . 44.9 tp -126.86 118.37 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.316 -0.624 . . . . 74.5 109.316 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.4 t-105 -116.76 125.61 28.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.352 -0.385 . . . . 64.11 110.133 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.85 156.04 27.03 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.672 2.248 . . . . 51.42 112.371 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 p -61.98 -15.12 41.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.039 -0.528 . . . . 75.53 111.578 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -70.22 -11.92 61.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.972 -0.558 . . . . 72.31 111.789 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.04 14.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.689 0.281 . . . . 71.31 111.097 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.9 152.65 21.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.396 -0.365 . . . . 73.44 110.596 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.59 120.73 79.19 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.082 -0.508 . . . . 54.22 111.49 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.68 133.95 19.48 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.717 2.278 . . . . 75.04 112.729 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.33 129.48 31.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.648 -0.705 . . . . 52.4 110.733 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.67 -23.83 21.12 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.472 -0.651 . . . . 61.12 111.472 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -107.76 118.99 38.19 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.427 -0.583 . . . . 65.54 109.427 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -100.2 142.03 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 75.23 110.144 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' HA ' HD23 ' A' ' 23' ' ' LEU . 30.6 t -74.34 112.68 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 42.52 110.453 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -87.71 -36.6 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.308 0.575 . . . . 72.54 109.61 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -130.53 124.77 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.437 -0.801 . . . . 72.55 108.872 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.78 178.37 8.98 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.185 -0.531 . . . . 73.14 112.512 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.66 111.2 0.85 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.312 0.577 . . . . 70.24 110.854 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.44 164.81 27.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.873 -0.603 . . . . 71.22 110.371 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -61.17 151.25 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.552 -0.295 . . . . 62.51 111.192 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' O ' HG21 ' A' ' 56' ' ' VAL . 11.4 tpt180 -47.07 -48.82 22.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 62.34 111.742 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.57 89.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.687 -0.233 . . . . 62.54 111.134 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -60.33 -42.9 96.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.113 0.482 . . . . 73.43 110.406 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' HG22 ' A' ' 59' ' ' VAL . 57.4 m -61.89 -48.28 81.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.781 -0.645 . . . . 65.34 110.75 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 52' ' ' ARG . 85.5 t -59.01 -48.46 86.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.464 -0.334 . . . . 64.2 111.065 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.63 -44.48 96.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 72.21 110.394 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.17 -47.71 84.79 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.759 -0.655 . . . . 75.13 110.679 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 55' ' ' CYS . 97.9 t . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 116.005 -0.543 . . . . 73.44 110.676 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.258 0 N-CA-C 112.195 -0.362 . . . . 55.12 112.195 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 76.3 mtp -112.29 130.2 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.228 -0.656 . . . . 71.05 109.228 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.49 ' HB2' HD12 ' A' ' 32' ' ' LEU . 8.1 m-85 -126.33 159.14 34.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.806 -0.442 . . . . 71.52 109.806 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -111.82 149.62 31.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.708 0.29 . . . . 74.04 110.486 177.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 46' ' ' VAL . 55.5 t -100.83 127.27 54.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.83 -0.804 . . . . 75.34 108.83 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.29 167.4 10.73 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.815 0.341 . . . . 73.02 110.881 -175.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.3 tt -139.08 141.97 34.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 115.572 -0.74 . . . . 72.04 110.241 174.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 47.1 t-20 -103.55 151.58 22.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.83 -1.174 . . . . 75.55 107.83 170.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -47.84 -29.72 3.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.064 0.853 . . . . 61.45 111.925 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 59.6 mm-40 -77.97 32.36 0.17 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.167 -0.469 . . . . 73.21 111.242 175.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HA ' HD13 ' A' ' 24' ' ' ILE . 12.0 mm-40 54.91 24.74 6.08 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.928 0.491 . . . . 74.33 111.705 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.607 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.1 mt-30 -81.65 115.99 21.18 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.29 -0.564 . . . . 74.21 109.964 -174.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -103.21 132.27 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.606 -0.27 . . . . 74.33 110.672 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -151.61 -177.81 6.32 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.583 -0.525 . . . . 53.22 109.583 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 20' ' ' PHE . 52.8 tp -134.0 120.98 20.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.654 -0.248 . . . . 74.5 110.375 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -114.22 135.17 22.15 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.376 -0.375 . . . . 64.11 110.347 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.09 154.6 22.41 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.641 2.227 . . . . 51.42 113.104 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -60.28 -27.68 67.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.869 -0.605 . . . . 75.53 111.617 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -79.44 2.55 21.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.759 -0.655 . . . . 72.31 111.774 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.16 156.99 42.02 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.766 0.317 . . . . 71.31 110.796 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -84.96 139.06 32.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.681 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.64 117.58 29.41 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 123.42 0.45 . . . . 54.22 110.159 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.3 127.86 13.91 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.456 2.104 . . . . 75.04 112.169 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.36 128.35 33.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.08 -0.509 . . . . 52.4 110.22 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.98 -19.31 27.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.644 -0.582 . . . . 61.12 111.644 -174.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -114.66 125.31 53.6 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 65.54 109.515 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -103.62 147.37 27.29 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.136 -0.32 . . . . 75.23 110.136 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.35 114.28 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.669 0.271 . . . . 42.52 110.466 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.22 -28.91 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.147 -0.478 . . . . 72.54 110.61 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -131.67 122.56 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.832 -0.803 . . . . 72.55 108.832 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.88 -178.02 6.24 Favored Glycine 0 C--N 1.331 0.257 0 O-C-N 123.572 0.545 . . . . 73.14 113.105 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 2.1 mp0 -55.71 111.4 0.9 Allowed 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.645 -0.502 . . . . 70.24 109.645 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.02 166.42 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 71.22 111.019 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 t -62.74 152.23 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 62.51 110.986 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -49.11 -52.83 23.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.257 -0.883 . . . . 62.34 112.492 -174.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.21 97.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.488 0.185 . . . . 62.54 111.129 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -61.4 -47.48 85.59 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.074 0.464 . . . . 73.43 110.464 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 57.8 m -59.55 -51.76 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.488 -0.778 . . . . 65.34 110.764 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.93 -38.66 81.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.016 -0.538 . . . . 64.2 110.518 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.84 -44.31 97.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.724 -0.671 . . . . 72.21 110.668 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -62.34 -49.01 77.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.062 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 115.942 -0.572 . . . . 73.44 110.627 175.2 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.012 -0.435 . . . . 55.12 112.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mtp -81.37 127.73 33.08 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.41 -0.589 . . . . 71.05 109.41 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -118.66 152.1 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.338 -0.392 . . . . 71.52 110.279 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -106.95 148.62 28.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.036 -0.357 . . . . 74.04 110.036 172.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 46' ' ' VAL . 60.7 t -98.6 123.57 51.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.876 -0.787 . . . . 75.34 108.876 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 45' ' ' VAL . 56.7 mt -103.19 172.0 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.949 0.781 . . . . 73.02 110.641 -175.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 4.1 tt -152.12 161.96 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.139 0.495 . . . . 72.04 111.031 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' N ' HG12 ' A' ' 24' ' ' ILE . 26.7 t-20 -130.97 155.3 47.05 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.764 -1.198 . . . . 75.55 107.764 166.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' CG ' HH12 ' A' ' 44' ' ' ARG . 18.7 m-20 -55.21 -17.66 4.75 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.966 0.791 . . . . 61.45 112.001 -169.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.31 24.7 0.43 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.026 -0.534 . . . . 73.21 110.571 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 26' ' ' ASP . 30.9 mm-40 50.91 30.46 5.25 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.441 0.639 . . . . 74.33 110.613 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 32.5 tt0 -83.75 116.19 22.57 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.299 -0.864 . . . . 74.21 108.754 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -114.84 143.91 44.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.818 0.342 . . . . 74.33 111.707 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -151.69 -177.67 6.25 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.694 -0.685 . . . . 53.22 109.551 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -134.57 134.86 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.941 -0.392 . . . . 74.5 109.941 -175.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.488 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 14.5 t-105 -136.19 139.26 29.49 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-N 116.918 -0.128 . . . . 64.11 111.054 -172.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -83.91 152.98 12.96 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.719 2.28 . . . . 51.42 113.157 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -62.38 -27.21 68.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.476 -0.783 . . . . 75.53 111.701 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -67.67 -13.08 61.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 72.31 111.319 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.0 153.96 46.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.591 0.234 . . . . 71.31 110.457 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.26 152.29 22.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.59 -0.277 . . . . 73.44 110.778 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.1 t -56.01 128.01 70.38 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.801 -0.636 . . . . 54.22 111.39 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.42 142.53 45.27 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 122.843 2.362 . . . . 75.04 112.548 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.17 130.23 25.92 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 52.4 111.328 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.66 18.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.883 -0.599 . . . . 61.12 112.29 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -98.51 156.87 16.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.666 0.233 . . . . 65.54 110.832 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.43 HH12 ' CG ' ' A' ' 26' ' ' ASP . 5.1 ptp180 -138.46 149.52 45.53 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.384 -0.371 . . . . 75.23 110.254 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.484 ' HA ' HD23 ' A' ' 23' ' ' LEU . 52.2 t -76.2 133.88 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.484 -0.326 . . . . 42.52 110.809 -177.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -112.87 -39.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.093 -0.706 . . . . 72.54 109.093 172.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.53 121.83 41.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.162 -1.051 . . . . 72.55 108.162 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 178.12 16.04 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.116 -0.564 . . . . 73.14 112.708 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 111.41 0.87 Allowed 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.282 0.563 . . . . 70.24 110.407 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.98 166.76 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.524 -0.762 . . . . 71.22 110.467 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 p -58.44 156.99 9.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 62.51 111.109 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.476 ' O ' HG21 ' A' ' 56' ' ' VAL . 8.5 tpt180 -53.15 -52.31 59.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 62.34 111.599 -176.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.99 84.4 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.137 0.421 . . . . 62.54 112.137 -173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 p -59.01 -48.76 80.44 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.228 0.537 . . . . 73.43 110.748 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.7 m -59.39 -48.14 82.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.504 -0.771 . . . . 65.34 110.502 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 52' ' ' ARG . 84.4 t -62.6 -38.52 81.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 115.871 -0.604 . . . . 64.2 110.636 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.41 -43.32 94.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 72.21 110.351 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -62.21 -55.42 28.77 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.356 -0.384 . . . . 75.13 110.369 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 116.009 -0.541 . . . . 73.44 111.332 179.148 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 111.81 -0.516 . . . . 55.12 111.81 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.7 mmm -82.97 127.56 33.65 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.677 -0.86 . . . . 71.05 108.677 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -120.41 157.6 28.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.666 0.269 . . . . 71.52 110.777 -173.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -115.79 149.1 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 74.04 110.007 172.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.7 t -106.02 129.79 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.933 -0.765 . . . . 75.34 108.933 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 45' ' ' VAL . 32.7 mt -107.8 173.73 6.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.847 -0.615 . . . . 73.02 110.875 -173.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.6 tt -147.32 148.54 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-O 121.0 0.429 . . . . 72.04 110.934 172.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.8 t30 -117.92 155.06 30.86 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.224 -1.028 . . . . 75.55 108.224 169.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 28' ' ' GLU . 27.8 m-20 -49.39 -30.2 7.45 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 124.017 0.823 . . . . 61.45 112.419 -168.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.509 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.1 mp0 -75.38 31.19 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.881 176.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.513 ' HA ' HD12 ' A' ' 24' ' ' ILE . 41.9 mm-40 49.95 27.04 2.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.436 0.694 . . . . 74.33 111.869 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 98.7 mt-30 -80.21 116.14 20.14 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.459 -0.571 . . . . 74.21 109.459 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -107.45 145.51 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.981 -0.378 . . . . 74.33 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -156.45 171.62 19.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.067 -0.716 . . . . 53.22 109.067 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD11 HG21 ' A' ' 22' ' ' VAL . 39.0 tp -123.37 130.18 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.675 -0.491 . . . . 74.5 109.675 -175.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.401 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 12.0 t-105 -130.43 135.2 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 64.11 110.393 -174.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -83.07 153.87 14.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.578 2.186 . . . . 51.42 112.711 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -64.41 -12.64 45.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.788 -0.642 . . . . 75.53 111.517 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -82.17 -6.94 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.559 . . . . 72.31 111.692 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.41 37.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.896 0.379 . . . . 71.31 111.401 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.49 141.41 44.92 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.368 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.62 123.55 88.05 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 110.029 -0.36 . . . . 54.22 110.029 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.13 125.73 15.78 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 122.424 2.082 . . . . 75.04 111.745 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.21 128.16 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 52.4 110.581 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.7 -27.56 12.0 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.656 -0.578 . . . . 61.12 111.656 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -98.92 116.13 30.45 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.782 -0.451 . . . . 65.54 109.782 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -95.13 145.6 24.89 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 110.167 -0.308 . . . . 75.23 110.167 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.472 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.5 t -76.69 113.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 42.52 110.388 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.09 -32.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.326 0.584 . . . . 72.54 109.614 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -125.17 108.18 11.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.055 -1.091 . . . . 72.55 108.055 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.16 175.0 4.4 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.148 -0.548 . . . . 73.14 112.498 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -55.02 119.34 5.29 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.397 0.618 . . . . 70.24 110.065 -177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.51 166.85 28.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 71.22 110.754 -172.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.9 m -56.29 147.78 20.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.279 -0.873 . . . . 62.51 111.644 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' O ' HG21 ' A' ' 56' ' ' VAL . 9.1 tpt180 -47.14 -50.14 20.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.884 -1.053 . . . . 62.34 111.661 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.63 82.6 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.008 0.373 . . . . 62.54 112.008 -176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.28 -51.7 66.64 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.394 0.616 . . . . 73.43 110.2 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.3 m -56.97 -45.32 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.246 -0.888 . . . . 65.34 110.389 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 52' ' ' ARG . 75.5 t -63.66 -41.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.423 -0.353 . . . . 64.2 110.857 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.58 -42.8 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.29 -0.414 . . . . 72.21 110.57 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -70.41 -45.19 66.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.327 -0.549 . . . . 75.13 110.659 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 55' ' ' CYS . 68.2 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 116.61 -0.268 . . . . 73.44 111.049 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.07 -0.412 . . . . 55.12 112.07 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.412 ' O ' HG23 ' A' ' 35' ' ' THR . 80.3 mtp -96.43 127.63 42.61 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.606 -0.516 . . . . 71.05 109.606 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -129.4 154.56 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.635 -0.506 . . . . 71.52 109.635 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 143.06 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.958 -0.386 . . . . 74.04 109.958 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 46' ' ' VAL . 58.6 t -95.79 128.82 46.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.315 -0.624 . . . . 75.34 109.315 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 45' ' ' VAL . 30.8 mt -114.46 167.03 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 73.02 109.491 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.8 tt -151.37 147.63 15.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.714 0.293 . . . . 72.04 110.42 175.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.531 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.6 t30 -110.87 155.64 22.31 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.75 -0.833 . . . . 75.55 108.75 170.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -58.66 -16.55 16.73 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.026 0.75 . . . . 61.45 113.026 -168.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 10.4 mp0 -83.73 34.04 0.48 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.099 -0.334 . . . . 73.21 110.099 170.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 49.19 30.33 3.0 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.08 0.552 . . . . 74.33 110.928 -177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 93.3 mt-30 -78.79 116.36 19.08 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.724 -0.473 . . . . 74.21 109.724 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -88.09 137.55 32.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.341 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 t -144.74 155.01 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.034 -0.358 . . . . 53.22 110.034 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -132.0 115.14 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.58 -0.896 . . . . 74.5 108.58 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -116.94 128.06 26.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 64.11 110.768 -170.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.51 157.8 36.39 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.593 2.195 . . . . 51.42 112.315 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 19' ' ' MET . 25.2 p -62.51 -14.1 37.93 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.735 -0.666 . . . . 75.53 111.984 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -79.02 0.17 28.78 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.059 -0.519 . . . . 72.31 111.905 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.87 163.38 32.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.851 0.357 . . . . 71.31 111.279 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -93.68 152.32 19.05 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.032 -0.531 . . . . 73.44 110.066 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.33 123.82 67.92 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.986 -0.552 . . . . 54.22 111.384 -177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -65.17 129.85 24.02 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.729 2.286 . . . . 75.04 112.585 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 128.14 19.72 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.322 -0.854 . . . . 52.4 111.157 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -27.96 12.39 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.99 -0.55 . . . . 61.12 111.918 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -95.41 135.58 36.86 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.178 -0.305 . . . . 65.54 110.178 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -102.88 142.54 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.603 -0.517 . . . . 75.23 109.603 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' HA ' HD22 ' A' ' 23' ' ' LEU . 41.0 t -79.43 112.29 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 42.52 110.6 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -90.46 -32.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.91 0.386 . . . . 72.54 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -138.42 127.01 23.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.098 -0.705 . . . . 72.55 109.098 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.81 174.06 29.6 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.222 -0.513 . . . . 73.14 112.222 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.65 111.06 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.261 0.553 . . . . 70.24 111.429 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.46 166.39 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 71.22 109.624 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 t -62.52 164.42 7.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.826 0.346 . . . . 62.51 111.146 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.4 tpp180 -50.35 -52.51 36.42 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.79 -0.641 . . . . 62.34 111.945 -175.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.73 76.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.516 -0.311 . . . . 62.54 111.618 -173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -55.22 -47.5 75.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.462 0.648 . . . . 73.43 110.18 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 59' ' ' VAL . 76.0 m -61.91 -49.31 76.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.112 -0.949 . . . . 65.34 111.04 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 52' ' ' ARG . 83.1 t -59.72 -44.77 94.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.787 0.327 . . . . 64.2 110.818 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -47.65 84.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.035 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -61.19 -45.97 92.38 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.474 -0.785 . . . . 75.13 110.372 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 55' ' ' CYS . 95.5 t . . . . . 0 C--O 1.235 0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.508 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.202 -0.359 . . . . 55.12 112.202 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 50' ' ' ALA . 69.1 mmm -92.57 126.99 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.882 -0.785 . . . . 71.05 108.882 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.7 m-85 -131.37 153.45 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 110.092 -0.336 . . . . 71.52 110.092 -177.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.469 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -105.53 154.43 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.523 -0.308 . . . . 74.04 110.343 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 ' O ' HG21 ' A' ' 46' ' ' VAL . 48.3 t -107.45 123.7 62.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.787 -0.82 . . . . 75.34 108.787 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 45' ' ' VAL . 39.1 mt -100.33 172.56 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.337 -0.847 . . . . 73.02 110.288 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.3 tt -144.49 136.92 22.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 72.04 110.319 175.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 17.6 t30 -99.97 152.86 19.7 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.916 -1.142 . . . . 75.55 107.916 167.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -61.55 -4.26 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.997 0.74 . . . . 61.45 112.997 -166.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 43.3 mm-40 -90.74 24.57 2.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.45 -0.574 . . . . 73.21 109.45 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.526 ' HA ' HD13 ' A' ' 24' ' ' ILE . 5.3 mm-40 56.57 28.28 13.67 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.905 0.882 . . . . 74.33 111.578 -174.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.534 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 53.4 mt-30 -78.07 116.75 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.21 110.503 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -85.04 152.78 23.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 74.33 110.022 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -166.4 135.62 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.665 -0.495 . . . . 53.22 109.665 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 20' ' ' PHE . 38.9 tp -93.69 122.63 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 74.5 110.088 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -122.87 128.88 25.21 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.16 -0.473 . . . . 64.11 110.181 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 88.9 Cg_endo -79.43 155.58 24.9 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.735 2.29 . . . . 51.42 112.915 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -62.13 -20.57 64.21 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.656 -0.702 . . . . 75.53 111.389 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -78.07 -5.55 51.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 72.31 111.633 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.33 173.52 7.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 71.31 111.388 -176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -103.27 139.68 38.39 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.33 -0.396 . . . . 73.44 110.53 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.81 115.65 20.55 Favored Pre-proline 0 CA--C 1.535 0.368 0 O-C-N 123.47 0.481 . . . . 54.22 110.072 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.5 136.57 40.01 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.526 2.151 . . . . 75.04 112.362 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.42 128.32 33.76 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.641 -0.709 . . . . 52.4 110.78 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.75 -28.32 11.63 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.383 -0.687 . . . . 61.12 111.383 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -97.8 131.19 44.53 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.617 -0.512 . . . . 65.54 109.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -114.4 145.63 41.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.051 -0.351 . . . . 75.23 110.051 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.485 ' HA ' HD22 ' A' ' 23' ' ' LEU . 40.7 t -73.0 117.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 42.52 110.514 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -96.3 -35.54 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.255 0.55 . . . . 72.54 109.558 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.31 120.46 34.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.576 -0.898 . . . . 72.55 108.576 -176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.89 166.95 26.87 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.307 -0.473 . . . . 73.14 112.405 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.8 pt-20 -55.38 111.13 0.81 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.235 0.54 . . . . 70.24 110.337 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HA ' ' HE1' ' A' ' 19' ' ' MET . . . -142.44 167.04 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 71.22 111.034 -174.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -54.49 145.23 18.98 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.867 -0.606 . . . . 62.51 111.085 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' HG21 ' A' ' 56' ' ' VAL . 11.3 tpt180 -47.73 -44.02 27.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.4 -0.818 . . . . 62.34 111.892 -175.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 62.54 111.771 -174.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.0 m -63.43 -44.55 94.23 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.587 0.708 . . . . 73.43 109.999 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB3' HD12 ' A' ' 32' ' ' LEU . 28.7 m -59.22 -48.48 81.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.125 -0.943 . . . . 65.34 110.398 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -60.96 -40.9 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.128 -0.487 . . . . 64.2 110.131 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.07 -43.73 78.25 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.542 -0.753 . . . . 72.21 110.533 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.455 ' CE2' HG22 ' A' ' 46' ' ' VAL . 67.0 t80 -70.49 -53.15 17.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.453 -0.339 . . . . 75.13 111.447 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' CYS . 93.7 t . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 120.878 0.371 . . . . 73.44 111.125 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.835 -0.106 . . . . 55.12 112.835 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.8 mmm -95.83 127.33 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.482 -0.933 . . . . 71.05 108.482 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.468 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.5 m-85 -131.91 163.19 28.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.9 -0.408 . . . . 71.52 109.9 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.489 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.45 149.49 30.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.919 -0.4 . . . . 74.04 109.919 175.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 46' ' ' VAL . 97.0 t -99.73 127.46 52.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 109.516 -0.55 . . . . 75.34 109.516 -177.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -115.76 167.76 10.65 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.163 0.506 . . . . 73.02 110.631 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 28' ' ' GLU . 7.3 tt -145.94 148.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.419 -0.81 . . . . 72.04 109.676 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -103.78 152.24 22.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.027 -1.101 . . . . 75.55 108.027 169.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.484 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.0 t70 -54.18 -25.78 24.46 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.062 0.851 . . . . 61.45 112.157 -168.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.21 16.49 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.211 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 24' ' ' ILE . 41.5 mt-10 61.78 34.71 17.11 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.844 0.857 . . . . 74.33 110.803 -177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.492 HE21 ' HH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -87.32 118.58 26.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.5 -0.773 . . . . 74.21 109.722 -179.479 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -84.97 138.9 32.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 74.33 111.355 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 p -149.97 175.41 11.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.39 -0.368 . . . . 53.22 110.875 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 21' ' ' PHE . 51.5 tp -141.26 132.26 26.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.474 -0.565 . . . . 74.5 109.474 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -127.65 134.43 26.18 Favored Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 122.865 0.103 . . . . 64.11 110.824 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -79.49 154.78 24.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.832 2.355 . . . . 51.42 112.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.0 p -62.34 -25.84 68.12 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.923 -0.58 . . . . 75.53 111.868 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.0 -9.8 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.832 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.26 150.37 48.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.665 0.269 . . . . 71.31 110.632 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.31 152.82 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.34 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.4 t -55.66 122.69 47.18 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 123.757 0.661 . . . . 54.22 110.897 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.62 123.87 9.8 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.52 2.147 . . . . 75.04 112.178 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.56 128.88 24.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.462 -0.79 . . . . 52.4 110.532 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.7 20.91 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.905 -0.588 . . . . 61.12 112.315 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.492 ' HH2' HE21 ' A' ' 29' ' ' GLN . 76.5 m95 -108.9 150.86 27.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.759 0.279 . . . . 65.54 110.321 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -121.32 139.78 52.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.823 -0.436 . . . . 75.23 109.823 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -83.61 113.74 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.704 0.288 . . . . 42.52 111.086 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -89.81 -34.13 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.374 0.607 . . . . 72.54 110.723 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.82 119.94 26.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 72.55 108.311 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.8 -176.52 2.36 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 121.262 -0.495 . . . . 73.14 112.303 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 131.04 44.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.421 0.629 . . . . 70.24 111.496 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.61 163.54 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.222 -0.899 . . . . 71.22 109.634 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 p -57.16 140.48 49.4 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.659 0.266 . . . . 62.51 110.523 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -47.49 -40.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.611 -0.722 . . . . 62.34 111.233 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.77 79.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.76 -0.2 . . . . 62.54 111.059 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -60.96 -40.15 92.25 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.274 0.559 . . . . 73.43 109.768 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' ' 59' ' ' VAL . 41.3 m -58.15 -51.92 67.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.396 -0.82 . . . . 65.34 110.493 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.48 -37.3 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.858 -0.61 . . . . 64.2 110.842 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.06 -45.44 94.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 72.21 110.112 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -64.48 -50.52 67.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.593 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 55' ' ' CYS . 85.8 t . . . . . 0 CA--C 1.53 0.202 0 CA-C-N 116.408 -0.36 . . . . 73.44 110.577 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 111.344 -0.702 . . . . 55.12 111.344 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mmm -87.81 127.08 35.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.256 -0.646 . . . . 71.05 109.256 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.3 153.7 47.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.557 -0.535 . . . . 71.52 109.557 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.59 153.77 24.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.883 0.373 . . . . 74.04 110.851 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.526 ' O ' HG21 ' A' ' 46' ' ' VAL . 58.6 t -105.7 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.891 -0.781 . . . . 75.34 108.891 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 45' ' ' VAL . 45.7 mt -112.29 174.12 6.04 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.975 0.797 . . . . 73.02 110.498 -175.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.556 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.7 tt -151.51 145.26 16.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.33 -0.395 . . . . 72.04 110.754 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 27.8 t-20 -106.8 158.88 16.65 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.265 -0.425 . . . . 75.55 109.88 174.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 m-20 -38.62 -44.87 1.02 Allowed 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.862 1.351 . . . . 61.45 112.858 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -75.58 26.2 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 73.21 111.03 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' HD11 ' A' ' 24' ' ' ILE . 44.5 mt-10 52.26 44.51 29.69 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.714 0.769 . . . . 74.33 109.973 -177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 99.4 mt-30 -91.61 115.62 28.2 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.037 -0.983 . . . . 74.21 109.165 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -88.48 149.53 23.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 74.33 110.596 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -159.46 169.71 23.31 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.608 -0.516 . . . . 53.22 109.608 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.69 132.21 48.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.483 -0.562 . . . . 74.5 109.483 -176.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -135.53 128.4 18.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 64.11 110.055 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -83.22 155.9 14.68 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.702 2.268 . . . . 51.42 112.628 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 p -59.84 -24.88 64.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.873 -0.603 . . . . 75.53 111.445 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -70.34 -8.96 54.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.519 -0.764 . . . . 72.31 111.292 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.51 156.65 38.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.67 0.271 . . . . 71.31 110.411 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.27 136.14 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 73.44 110.478 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -55.28 116.96 12.9 Favored Pre-proline 0 CA--C 1.536 0.427 0 O-C-N 123.368 0.417 . . . . 54.22 110.947 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 131.02 16.96 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.626 2.217 . . . . 75.04 112.727 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.87 128.32 34.5 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.993 -0.549 . . . . 52.4 110.218 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.45 -17.94 30.58 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.65 -0.58 . . . . 61.12 111.65 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -115.34 101.47 8.95 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.423 -0.584 . . . . 65.54 109.423 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -84.29 148.46 26.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.293 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.455 ' HA ' HD22 ' A' ' 23' ' ' LEU . 39.4 t -76.72 131.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 42.52 110.808 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -114.49 -29.72 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.06 0.457 . . . . 72.54 110.304 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.1 t80 -135.72 116.09 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.839 -0.8 . . . . 72.55 108.839 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.33 172.72 9.16 Favored Glycine 0 CA--C 1.52 0.385 0 O-C-N 123.366 0.416 . . . . 73.14 112.788 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.21 117.39 3.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.29 0.567 . . . . 70.24 111.32 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.32 166.16 25.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.444 -0.798 . . . . 71.22 110.237 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -54.91 146.37 17.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.809 0.338 . . . . 62.51 111.085 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' O ' HG22 ' A' ' 56' ' ' VAL . 20.5 tpt180 -47.39 -49.04 25.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.584 -0.734 . . . . 62.34 111.734 -176.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.8 75.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.533 -0.303 . . . . 62.54 111.599 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -66.16 -42.61 88.77 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.201 0.524 . . . . 73.43 110.445 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.1 m -64.73 -44.22 90.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 65.34 110.255 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 52' ' ' ARG . 85.9 t -63.42 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.09 0 CA-C-N 116.009 -0.542 . . . . 64.2 110.302 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -57.0 -49.47 75.67 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.78 -0.645 . . . . 72.21 110.149 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -62.4 -53.55 53.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.286 -0.87 . . . . 75.13 110.646 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 116.242 -0.435 . . . . 73.44 111.429 177.256 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 111.771 -0.532 . . . . 55.12 111.771 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.6 mtp -97.45 127.73 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.733 -0.469 . . . . 71.05 109.733 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.17 159.45 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -109.02 149.78 28.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.396 0.141 . . . . 74.04 110.674 178.73 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 46' ' ' VAL . 60.5 t -99.52 125.58 53.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 109.752 -0.462 . . . . 75.34 109.752 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.94 170.79 7.84 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.996 0.81 . . . . 73.02 110.466 -176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.531 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.2 tt -153.61 154.92 6.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-N 116.046 -0.525 . . . . 72.04 110.587 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.526 ' HB3' ' HB3' ' A' ' 29' ' ' GLN . 56.7 t30 -127.41 156.22 42.41 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.771 -0.826 . . . . 75.55 108.771 171.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 28' ' ' GLU . 16.7 t70 -45.52 -28.33 0.91 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.53 0.937 . . . . 61.45 113.53 -166.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -78.01 27.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.272 -0.268 . . . . 73.21 110.661 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HA ' HD13 ' A' ' 24' ' ' ILE . 34.9 mm-40 47.98 28.61 1.48 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.469 0.652 . . . . 74.33 110.577 -169.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 60.1 tp60 -70.44 115.67 9.89 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.235 -0.893 . . . . 74.21 108.672 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -98.2 133.86 42.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.317 . . . . 74.33 110.863 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.3 t -141.22 163.93 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.384 -0.599 . . . . 53.22 109.384 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.89 115.37 12.71 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.288 -0.634 . . . . 74.5 109.288 -178.386 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -113.8 133.83 22.19 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.405 -0.118 . . . . 64.11 110.711 -174.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.7 155.54 24.04 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.857 2.372 . . . . 51.42 112.785 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 p -61.83 -24.75 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 75.53 111.468 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -78.31 4.52 12.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 72.31 111.877 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.02 153.64 46.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.119 -0.326 . . . . 71.31 110.119 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.18 152.57 21.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.911 0.386 . . . . 73.44 111.354 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.35 124.79 79.75 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.273 -0.876 . . . . 54.22 111.695 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.44 123.93 11.42 Favored 'Trans proline' 0 C--O 1.243 0.737 0 C-N-CA 122.607 2.205 . . . . 75.04 111.783 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.43 128.24 22.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.326 -0.852 . . . . 52.4 111.312 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.89 -28.09 11.88 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.78 -0.646 . . . . 61.12 111.678 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -94.65 131.3 40.58 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.845 -0.428 . . . . 65.54 109.845 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -104.19 136.54 43.6 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 110.073 -0.343 . . . . 75.23 110.073 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.3 125.18 38.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.312 -0.404 . . . . 42.52 110.398 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -100.29 -36.93 5.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.273 0.558 . . . . 72.54 110.528 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -123.47 121.99 37.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.628 -0.879 . . . . 72.55 108.628 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.29 178.6 6.34 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 121.051 -0.595 . . . . 73.14 112.413 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.34 120.09 6.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.564 0.697 . . . . 70.24 110.86 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.37 166.49 24.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 71.22 109.734 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.37 141.05 58.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.569 . . . . 62.51 109.462 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.4 tmt_? -47.87 -39.21 18.11 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.428 0.455 . . . . 62.34 111.307 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.97 91.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.482 -0.326 . . . . 62.54 111.363 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -69.87 -40.42 75.75 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.627 0.727 . . . . 73.43 109.404 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 m -57.56 -51.07 70.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.121 -0.945 . . . . 65.34 110.016 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.4 t -63.63 -34.58 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 CA-C-N 115.844 -0.616 . . . . 64.2 110.388 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.42 -44.32 84.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.118 -0.492 . . . . 72.21 109.782 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -68.52 -54.56 15.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.271 -0.422 . . . . 75.13 110.92 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.8 t . . . . . 0 N--CA 1.466 0.372 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.851 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 N-CA-C 111.414 -0.674 . . . . 55.12 111.414 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.1 mmm -88.91 127.25 35.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 71.05 109.437 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.472 ' HB2' HD12 ' A' ' 32' ' ' LEU . 4.0 m-85 -129.89 149.83 51.45 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.13 146.86 30.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.622 0.249 . . . . 74.04 111.131 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.441 HG23 HD13 ' A' ' 32' ' ' LEU . 61.2 t -98.02 125.72 51.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 109.189 -0.671 . . . . 75.34 109.189 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.4 mt -108.49 169.35 8.7 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.854 0.721 . . . . 73.02 110.241 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.1 tt -148.19 150.97 13.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.076 0.465 . . . . 72.04 111.271 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.502 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 56.4 t30 -119.71 153.94 34.87 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.333 -0.988 . . . . 75.55 108.333 168.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 28' ' ' GLU . 33.2 m-20 -53.17 -23.42 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.231 0.826 . . . . 61.45 113.231 -166.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 1.5 mp0 -75.56 19.96 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.76 0.314 . . . . 73.21 110.851 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.515 ' HA ' HD12 ' A' ' 24' ' ' ILE . 30.3 mt-10 59.48 26.55 15.53 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.406 0.682 . . . . 74.33 110.505 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.59 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 97.6 mt-30 -76.57 115.93 16.78 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.17 -1.048 . . . . 74.21 108.17 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -123.68 143.16 50.43 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.185 -0.302 . . . . 74.33 110.185 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.4 t -163.04 172.94 14.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.771 -0.826 . . . . 53.22 108.771 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 20' ' ' PHE . 40.8 tp -118.59 133.83 55.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.044 -0.525 . . . . 74.5 110.216 -174.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -129.16 130.6 23.39 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.118 -0.492 . . . . 64.11 110.041 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.81 154.1 19.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.609 2.206 . . . . 51.42 112.979 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 p -63.62 -20.11 65.41 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.76 -0.655 . . . . 75.53 111.585 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -76.44 -2.32 31.47 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.134 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.65 161.8 26.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.621 -0.263 . . . . 71.31 110.538 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -96.14 152.6 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.331 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -76.5 124.68 87.97 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.001 -0.545 . . . . 54.22 110.921 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.03 126.45 15.2 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.606 2.204 . . . . 75.04 111.934 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.02 128.49 37.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.753 -0.658 . . . . 52.4 110.633 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 -27.99 11.44 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.534 -0.626 . . . . 61.12 111.534 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -93.85 129.52 40.23 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.424 -0.584 . . . . 65.54 109.424 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -107.71 141.77 38.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 75.23 110.596 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' HA ' HD23 ' A' ' 23' ' ' LEU . 26.7 t -74.11 115.19 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.824 -0.625 . . . . 42.52 110.294 -178.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -88.38 -35.4 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.214 0.53 . . . . 72.54 109.645 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -132.7 123.54 26.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.306 -0.861 . . . . 72.55 109.194 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.81 175.52 7.68 Favored Glycine 0 C--N 1.333 0.396 0 O-C-N 123.663 0.602 . . . . 73.14 112.599 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 111.99 1.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.102 0.477 . . . . 70.24 110.858 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.34 165.56 25.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.801 -0.636 . . . . 71.22 110.382 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.8 t -59.28 154.52 16.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 62.51 111.052 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.3 tpt180 -47.47 -48.5 26.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.505 -0.77 . . . . 62.34 111.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.1 82.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.433 -0.349 . . . . 62.54 111.69 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -60.86 -45.59 93.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.131 0.491 . . . . 73.43 110.635 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.0 m -62.85 -42.97 99.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 65.34 110.832 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 52' ' ' ARG . 73.3 t -62.6 -43.75 98.77 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.038 0 CA-C-N 116.342 -0.39 . . . . 64.2 110.324 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.38 -46.73 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.819 -0.628 . . . . 72.21 110.31 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -62.35 -54.96 32.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.504 -0.771 . . . . 75.13 110.474 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.94 -0.573 . . . . 73.44 111.491 177.057 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.626 0 N-CA-C 111.776 -0.53 . . . . 55.12 111.776 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 83.1 mtp -72.81 127.6 33.02 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.348 -0.612 . . . . 71.05 109.348 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 9.4 m-85 -128.7 161.89 28.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.463 -0.569 . . . . 71.52 109.463 -178.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.55 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.6 150.82 28.42 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.44 -0.207 . . . . 74.04 110.44 177.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.462 ' O ' HG21 ' A' ' 46' ' ' VAL . 60.4 t -99.3 126.01 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 108.752 -0.833 . . . . 75.34 108.752 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.75 170.24 8.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.107 0.48 . . . . 73.02 111.004 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.5 tt -143.89 136.57 23.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.364 -0.834 . . . . 72.04 110.002 173.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.3 t30 -94.42 153.58 17.88 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.649 -0.871 . . . . 75.55 108.649 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 28' ' ' GLU . 6.5 m-20 -63.85 -9.24 13.92 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.919 0.762 . . . . 61.45 111.314 -171.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 47.1 mt-10 -80.72 18.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 73.21 109.556 169.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HA ' HD11 ' A' ' 24' ' ' ILE . 57.0 mt-10 59.82 31.16 20.64 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.544 0.738 . . . . 74.33 110.052 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.567 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 96.6 mt-30 -92.17 116.22 28.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.545 -0.752 . . . . 74.21 110.008 -176.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -96.49 136.94 36.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.465 . . . . 74.33 109.743 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -157.63 -177.83 6.88 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.827 0.346 . . . . 53.22 110.255 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 21' ' ' PHE . 58.3 tp -134.31 125.24 27.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 74.5 109.882 -174.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -119.15 136.38 24.39 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 110.355 -0.239 . . . . 64.11 110.355 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.537 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 97.1 Cg_endo -79.21 154.22 24.95 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.788 2.326 . . . . 51.42 113.478 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -61.71 -31.87 72.05 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.356 -0.838 . . . . 75.53 111.121 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.96 -14.73 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.436 -0.802 . . . . 72.31 111.948 -175.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.03 157.76 26.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.72 0.295 . . . . 71.31 111.002 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.97 148.8 25.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.863 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.45 124.13 81.52 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.872 -0.604 . . . . 54.22 111.132 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HG2' ' HB2' ' A' ' 43' ' ' TRP . 58.0 Cg_endo -72.93 132.01 17.75 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.574 2.183 . . . . 75.04 112.199 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.79 128.19 31.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.96 -0.564 . . . . 52.4 110.992 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.31 -27.99 15.16 Favored Glycine 0 N--CA 1.453 -0.18 0 N-CA-C 111.54 -0.624 . . . . 61.12 111.54 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 74.9 m95 -96.74 114.13 25.75 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.834 -0.432 . . . . 65.54 109.834 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -99.28 138.21 36.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.175 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.8 t -73.79 125.32 32.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-N 116.29 -0.414 . . . . 42.52 110.705 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -103.12 -31.85 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.148 0.499 . . . . 72.54 110.197 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -129.47 124.08 33.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.154 -1.054 . . . . 72.55 108.154 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.35 -172.55 8.87 Favored Glycine 0 CA--C 1.518 0.252 0 O-C-N 123.526 0.516 . . . . 73.14 113.107 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -54.94 113.13 1.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.184 -0.302 . . . . 70.24 110.184 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.15 165.43 27.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 71.22 110.744 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 p -66.03 150.51 48.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.831 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 56' ' ' VAL . 13.8 tpt180 -47.66 -49.84 26.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.165 -0.47 . . . . 62.34 111.592 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.6 73.07 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.827 0.346 . . . . 62.54 111.632 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -59.96 -49.76 76.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.587 0.708 . . . . 73.43 110.33 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' HB3' HD12 ' A' ' 32' ' ' LEU . 34.9 m -57.76 -45.56 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.816 -1.084 . . . . 65.34 110.466 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 52' ' ' ARG . 72.1 t -59.26 -47.95 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.461 -0.791 . . . . 64.2 110.763 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.56 -46.67 88.23 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.349 -0.387 . . . . 72.21 110.788 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.15 -55.8 30.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.769 0.319 . . . . 75.13 110.39 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 CA--C 1.534 0.351 0 CA-C-N 116.095 -0.502 . . . . 73.44 111.187 176.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.79 0 N-CA-C 111.299 -0.72 . . . . 55.12 111.299 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.0 mtp -78.27 128.23 33.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 71.05 109.68 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -124.58 161.9 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.789 -0.449 . . . . 71.52 109.789 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.433 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -114.94 149.67 36.92 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.218 -0.29 . . . . 74.04 110.218 176.146 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 46' ' ' VAL . 61.9 t -101.67 131.49 49.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.424 -0.584 . . . . 75.34 109.424 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 23' ' ' LEU . 5.0 mp -118.02 165.57 13.58 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.444 0.465 . . . . 73.02 110.791 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.4 tt -142.7 153.16 17.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.794 -0.639 . . . . 72.04 110.043 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.38 147.7 48.05 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.368 -0.975 . . . . 75.55 108.368 172.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.73 -32.5 0.6 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.832 1.049 . . . . 61.45 113.832 -167.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -79.79 34.38 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.794 0.33 . . . . 73.21 111.129 176.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 53.92 28.27 8.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.807 -0.633 . . . . 74.33 112.108 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.5 mt-30 -83.78 115.97 22.48 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.156 -0.683 . . . . 74.21 109.156 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -109.16 137.33 47.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.085 -0.507 . . . . 74.33 109.792 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 t -146.07 -178.32 6.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.112 -0.494 . . . . 53.22 109.689 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -142.29 115.26 8.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.37 -0.604 . . . . 74.5 109.37 -174.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -113.91 134.64 22.08 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.467 -0.333 . . . . 64.11 110.153 -173.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.03 153.24 25.0 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.602 2.202 . . . . 51.42 112.733 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -61.45 -21.75 64.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.527 -0.761 . . . . 75.53 111.166 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.39 1.54 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 72.31 111.025 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.21 155.74 48.78 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.391 -0.368 . . . . 71.31 110.217 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -92.42 149.78 21.2 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.774 0.321 . . . . 73.44 110.604 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.78 129.3 92.92 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.679 -0.691 . . . . 54.22 111.926 -173.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.15 129.31 18.02 Favored 'Trans proline' 0 C--O 1.243 0.748 0 C-N-CA 122.772 2.315 . . . . 75.04 112.028 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.04 128.09 20.65 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.619 -0.719 . . . . 52.4 111.334 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.28 -28.56 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.733 -0.667 . . . . 61.12 112.16 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -88.0 124.65 33.95 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.973 -0.38 . . . . 65.54 109.973 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -101.33 132.89 46.66 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.692 0.282 . . . . 75.23 110.54 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.7 t -74.31 113.45 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 42.52 110.623 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -88.16 -37.35 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 72.54 110.241 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -124.65 117.05 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.981 -0.748 . . . . 72.55 108.981 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.71 174.99 6.42 Favored Glycine 0 C--N 1.333 0.399 0 O-C-N 123.557 0.536 . . . . 73.14 112.5 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 122.11 10.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.474 0.654 . . . . 70.24 111.375 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.2 166.9 25.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 71.22 110.504 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.8 t -58.09 138.26 56.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 62.51 110.532 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.92 -49.45 30.04 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.801 -0.636 . . . . 62.34 111.883 -173.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.34 90.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.624 0.25 . . . . 62.54 111.071 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -60.22 -40.19 89.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.332 -0.395 . . . . 73.43 110.414 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.2 m -61.82 -49.18 77.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.034 -0.53 . . . . 65.34 110.797 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 52' ' ' ARG . 90.5 t -62.1 -41.87 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.98 -0.555 . . . . 64.2 110.61 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.2 -31.65 72.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 72.21 110.426 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -64.24 -50.31 68.49 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 N--CA 1.467 0.403 0 CA-C-N 115.96 -0.564 . . . . 73.44 110.621 175.137 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 111.592 -0.603 . . . . 55.12 111.592 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 50' ' ' ALA . 60.8 mmm -89.36 127.42 35.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.424 -0.584 . . . . 71.05 109.424 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -131.29 154.78 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.082 -0.71 . . . . 71.52 109.082 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -107.09 157.36 17.9 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.846 0.355 . . . . 74.04 111.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG12 HG21 ' A' ' 59' ' ' VAL . 84.5 t -105.58 128.17 59.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 108.925 -0.769 . . . . 75.34 108.925 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 45' ' ' VAL . 47.0 mt -110.63 173.83 6.15 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.946 0.778 . . . . 73.02 110.554 -176.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.7 tt -147.74 147.3 17.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.287 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 60.6 t30 -115.0 155.48 26.87 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.407 -0.96 . . . . 75.55 108.407 167.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.6 t70 -53.2 -16.45 1.23 Allowed 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.998 0.811 . . . . 61.45 111.463 -174.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -75.26 19.98 0.16 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.643 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' A' ' 26' ' ' ASP . 10.2 mm-40 52.96 26.03 4.42 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.299 0.571 . . . . 74.33 110.337 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.562 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 6.5 mm-40 -76.69 116.21 17.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 74.21 111.004 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.14 137.97 32.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.237 -0.892 . . . . 74.33 109.878 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -155.56 162.42 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.854 0.359 . . . . 53.22 110.083 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -129.31 128.61 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.78 -0.822 . . . . 74.5 108.78 -177.023 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -130.22 129.74 22.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.758 -0.201 . . . . 64.11 110.634 -172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.13 154.65 22.3 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.363 2.042 . . . . 51.42 112.639 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -63.79 -11.38 26.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.725 -0.671 . . . . 75.53 111.874 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -80.1 -3.44 48.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.369 -0.378 . . . . 72.31 111.413 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.83 165.81 25.07 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.689 0.28 . . . . 71.31 110.907 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.83 152.5 20.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.56 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.81 119.87 76.78 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.237 -0.438 . . . . 54.22 110.342 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.36 132.18 28.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.625 2.217 . . . . 75.04 112.682 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.73 35.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.844 -0.617 . . . . 52.4 110.915 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.96 -28.07 11.03 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 111.13 -0.788 . . . . 61.12 111.13 -175.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -101.57 143.53 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.927 -0.768 . . . . 65.54 108.927 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -121.15 151.92 39.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.097 -0.335 . . . . 75.23 110.097 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.481 ' HA ' HD22 ' A' ' 23' ' ' LEU . 42.5 t -76.03 127.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 42.52 109.777 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -105.15 -34.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.707 -0.479 . . . . 72.54 109.707 176.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -127.85 128.29 44.95 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.45 -0.944 . . . . 72.55 108.45 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 173.76 25.64 Favored Glycine 0 C--N 1.33 0.242 0 O-C-N 123.505 0.503 . . . . 73.14 112.85 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.59 110.93 0.97 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.327 0.584 . . . . 70.24 110.846 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -139.79 166.78 23.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.286 -0.87 . . . . 71.22 110.781 -176.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -53.35 154.37 3.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.37 0.605 . . . . 62.51 111.881 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' HG22 ' A' ' 56' ' ' VAL . 13.5 tpt180 -50.33 -52.4 37.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.31 -0.859 . . . . 62.34 111.737 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.85 75.98 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.996 0.369 . . . . 62.54 111.996 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.1 m -57.23 -47.45 81.31 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.552 0.691 . . . . 73.43 110.154 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.477 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 m -59.97 -49.28 78.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.015 -0.993 . . . . 65.34 111.16 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 52' ' ' ARG . 76.1 t -58.9 -40.58 80.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.038 0.447 . . . . 64.2 110.609 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.03 -45.47 92.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.548 -0.751 . . . . 72.21 110.739 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -67.36 -39.09 85.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.93 0.395 . . . . 75.13 110.424 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 55' ' ' CYS . 81.0 t . . . . . 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 73.44 110.244 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.595 -0.202 . . . . 55.12 112.595 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 35' ' ' THR . 69.3 mtp -102.45 127.62 49.41 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.921 -0.77 . . . . 71.05 108.921 174.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.74 159.12 39.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.866 -0.42 . . . . 71.52 109.866 -176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -107.7 151.51 25.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.731 0.301 . . . . 74.04 110.892 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.5 t -100.54 126.95 54.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 N-CA-C 109.105 -0.702 . . . . 75.34 109.105 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 45' ' ' VAL . 62.4 mt -113.92 168.21 9.99 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.639 0.587 . . . . 73.02 110.194 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.9 tt -143.02 131.22 19.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.301 174.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 59.1 t30 -92.53 154.69 18.29 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.862 -0.792 . . . . 75.55 108.862 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 28' ' ' GLU . 4.3 t70 -53.89 -26.62 25.91 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.958 0.786 . . . . 61.45 112.581 -166.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.0 mp0 -77.96 30.53 0.17 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.588 0.232 . . . . 73.21 110.618 174.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HA ' HD13 ' A' ' 24' ' ' ILE . 29.4 mm-40 53.07 29.73 8.53 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.129 0.572 . . . . 74.33 111.677 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.545 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.5 mt-30 -82.44 115.52 21.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.293 -0.632 . . . . 74.21 109.293 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -103.4 131.98 50.04 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.11 -0.495 . . . . 74.33 109.773 -175.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -155.11 -177.79 6.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.014 -0.736 . . . . 53.22 109.014 -172.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.0 135.85 45.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.989 -0.551 . . . . 74.5 109.77 -169.069 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -133.05 131.48 21.87 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.537 -0.302 . . . . 64.11 110.261 -172.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.06 155.7 26.14 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.599 2.2 . . . . 51.42 112.886 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 19' ' ' MET . 17.8 p -59.91 -25.53 65.19 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.607 -0.724 . . . . 75.53 111.675 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.68 -11.04 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.502 -0.772 . . . . 72.31 111.739 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.1 156.57 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 71.31 111.259 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.49 152.63 21.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.972 -0.558 . . . . 73.44 110.347 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -70.63 117.22 53.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.601 . . . . 54.22 111.066 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.63 132.1 22.82 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.537 2.158 . . . . 75.04 111.838 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.83 128.08 34.91 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.034 -0.53 . . . . 52.4 110.695 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.9 -28.36 12.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.756 -0.656 . . . . 61.12 111.564 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -97.45 97.29 8.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.672 -0.492 . . . . 65.54 109.672 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -87.06 143.08 27.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.807 -0.633 . . . . 75.23 110.583 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.441 ' HA ' HD22 ' A' ' 23' ' ' LEU . 39.6 t -71.85 129.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 42.52 110.875 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -106.8 -35.04 2.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 72.54 109.782 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.3 132.77 39.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.683 -0.858 . . . . 72.55 108.683 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 177.96 43.42 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.021 -0.609 . . . . 73.14 112.615 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.42 117.5 3.62 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.855 0.359 . . . . 70.24 110.975 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.14 166.77 25.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 71.22 110.337 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -54.14 137.49 40.33 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.267 0.354 . . . . 62.51 111.011 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -44.02 43.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.427 -0.806 . . . . 62.34 111.768 -172.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.71 95.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.707 0.289 . . . . 62.54 111.51 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 m -65.35 -42.36 92.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.393 0.616 . . . . 73.43 109.641 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.486 ' O ' HG22 ' A' ' 59' ' ' VAL . 49.5 m -56.76 -51.82 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.041 -0.981 . . . . 65.34 110.501 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.2 -39.37 82.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.005 -0.543 . . . . 64.2 110.71 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -58.04 -47.4 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 72.21 109.964 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -66.29 -46.05 78.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.05 -0.523 . . . . 75.13 110.598 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 55' ' ' CYS . 98.6 t . . . . . 0 N--CA 1.467 0.381 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.721 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 112.019 -0.432 . . . . 55.12 112.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.3 mtp -105.53 127.73 53.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 6.6 m-85 -128.84 157.4 41.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.663 -0.495 . . . . 71.52 109.663 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -110.84 154.29 24.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.717 0.294 . . . . 74.04 111.056 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.528 ' O ' HG21 ' A' ' 46' ' ' VAL . 47.4 t -107.77 122.32 61.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.683 -0.858 . . . . 75.34 108.683 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 45' ' ' VAL . 35.3 mt -100.01 174.76 6.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.361 -0.836 . . . . 73.02 110.236 -176.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 8.4 tt -153.21 144.48 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 72.04 110.819 173.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -102.72 147.07 27.29 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.98 -1.489 . . . . 75.55 106.98 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.05 -8.31 3.23 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.025 0.828 . . . . 61.45 112.07 -166.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.656 ' HG3' ' HG3' ' A' ' 29' ' ' GLN . 11.6 pt-20 -87.28 26.12 1.27 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.783 -0.644 . . . . 73.21 109.871 169.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HA ' HD13 ' A' ' 24' ' ' ILE . 49.0 mt-10 62.93 23.35 13.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.119 -0.946 . . . . 74.33 111.586 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.656 ' HG3' ' HG3' ' A' ' 27' ' ' GLU . 16.9 mt-30 -85.88 116.3 24.04 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.286 -0.565 . . . . 74.21 110.089 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -98.34 155.25 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.27 -0.423 . . . . 74.33 109.955 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.0 t -160.11 147.85 16.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.948 -0.76 . . . . 53.22 108.948 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.59 117.54 34.43 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.567 -0.531 . . . . 74.5 109.567 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -120.89 135.36 24.71 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.183 -0.462 . . . . 64.11 110.275 -173.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -87.63 155.17 7.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.612 2.208 . . . . 51.42 113.011 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 p -58.42 -24.64 60.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.828 -0.623 . . . . 75.53 111.694 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -68.34 -24.38 64.81 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.719 -0.673 . . . . 72.31 112.133 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.09 160.66 17.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.618 0.247 . . . . 71.31 111.284 -174.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.88 145.21 25.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.483 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.45 132.28 87.72 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.092 -0.504 . . . . 54.22 111.432 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.35 123.63 10.43 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.535 2.157 . . . . 75.04 112.146 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.49 128.26 22.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.644 -0.707 . . . . 52.4 110.942 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.14 15.04 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 116.038 -0.528 . . . . 61.12 111.793 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -97.55 125.36 42.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.657 -0.497 . . . . 65.54 109.657 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -100.43 143.03 31.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.412 -0.218 . . . . 75.23 110.412 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.447 ' HA ' HD22 ' A' ' 23' ' ' LEU . 60.5 t -72.03 116.05 13.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 110.072 -0.344 . . . . 42.52 110.072 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -92.3 -38.38 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 72.54 109.588 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.45 28.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.239 -1.023 . . . . 72.55 108.239 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.02 171.11 10.14 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.077 -0.582 . . . . 73.14 112.398 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.6 pt-20 -55.4 111.47 0.89 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.349 0.595 . . . . 70.24 110.159 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.14 167.41 21.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.134 -0.939 . . . . 71.22 110.489 -174.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.4 p -51.09 137.88 20.94 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.989 -0.55 . . . . 62.51 111.092 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 tpt85 -47.69 -43.17 26.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.634 -0.712 . . . . 62.34 112.3 -174.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.31 84.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 62.54 111.644 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 m -59.1 -46.98 86.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.407 0.622 . . . . 73.43 110.363 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.2 m -59.62 -47.09 86.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.025 -0.989 . . . . 65.34 110.551 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 52' ' ' ARG . 81.5 t -58.74 -42.6 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.315 -0.402 . . . . 64.2 110.597 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -60.05 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 72.21 110.474 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -67.56 -39.71 84.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 75.13 110.936 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.527 -0.306 . . . . 73.44 111.394 174.647 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 111.644 -0.582 . . . . 55.12 111.644 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -91.1 127.36 36.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -126.91 149.66 49.69 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.777 -0.453 . . . . 71.52 109.777 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.28 153.58 19.85 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.944 0.402 . . . . 74.04 111.278 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG12 HG22 ' A' ' 59' ' ' VAL . 58.8 t -103.78 127.93 57.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.183 -0.673 . . . . 75.34 109.183 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 45' ' ' VAL . 38.6 mt -114.12 170.13 8.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.641 -0.709 . . . . 73.02 110.214 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.4 tt -151.02 144.81 16.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 120.965 0.412 . . . . 72.04 110.858 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.506 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 52.9 t30 -98.05 151.93 19.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.094 -1.076 . . . . 75.55 108.094 166.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 28' ' ' GLU . 17.5 t70 -63.33 -14.5 50.6 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.776 0.673 . . . . 61.45 110.494 -169.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -78.3 25.13 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.246 -0.888 . . . . 73.21 110.441 173.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HA ' HD11 ' A' ' 24' ' ' ILE . 57.5 mm-40 53.42 37.96 26.8 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.254 0.622 . . . . 74.33 111.661 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 96.7 mt-30 -98.11 115.86 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.134 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -88.49 146.82 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 74.33 110.781 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 t -153.47 169.65 22.65 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.116 -0.328 . . . . 53.22 110.116 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.83 131.26 35.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.053 -0.721 . . . . 74.5 109.053 -176.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -134.45 135.89 24.68 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 123.092 0.245 . . . . 64.11 110.425 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -83.23 154.79 14.45 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.873 2.382 . . . . 51.42 112.9 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -60.96 -21.11 63.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.636 -0.711 . . . . 75.53 111.678 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -75.81 4.46 7.97 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.909 -0.587 . . . . 72.31 111.868 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.7 169.08 18.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.687 0.28 . . . . 71.31 111.145 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.37 147.43 23.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.355 -0.384 . . . . 73.44 109.999 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.68 122.26 73.01 Favored Pre-proline 0 CA--C 1.534 0.358 0 O-C-N 123.449 0.468 . . . . 54.22 110.623 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.65 134.22 40.03 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.428 2.086 . . . . 75.04 112.703 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.13 128.8 28.97 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 52.4 110.973 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -28.44 14.79 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.885 -0.598 . . . . 61.12 111.825 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -94.9 125.77 39.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.655 -0.498 . . . . 65.54 109.655 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.4 145.35 30.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 75.23 110.658 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' HA ' HD21 ' A' ' 23' ' ' LEU . 29.8 t -76.68 122.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.835 -0.62 . . . . 42.52 110.656 -177.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -100.62 -31.75 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.187 0.517 . . . . 72.54 110.042 177.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.11 131.7 35.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.796 -0.816 . . . . 72.55 108.796 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.02 179.72 13.17 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.142 -0.551 . . . . 73.14 112.301 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.22 110.62 1.27 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.929 0.395 . . . . 70.24 110.028 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.506 ' HB1' ' SG ' ' A' ' 55' ' ' CYS . . . -134.18 167.01 21.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.918 -0.583 . . . . 71.22 111.103 -173.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.7 p -53.88 150.32 7.78 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.465 -0.789 . . . . 62.51 111.321 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.515 ' O ' HG21 ' A' ' 56' ' ' VAL . 8.8 tpt180 -52.62 -52.53 54.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.627 -0.715 . . . . 62.34 111.495 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.76 76.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.364 -0.38 . . . . 62.54 111.759 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -57.9 -47.73 81.95 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.052 0.453 . . . . 73.43 110.421 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.529 ' O ' HG21 ' A' ' 59' ' ' VAL . 85.0 m -60.98 -48.14 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.441 -0.799 . . . . 65.34 111.128 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 52' ' ' ARG . 77.2 t -57.18 -48.74 81.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.712 0.292 . . . . 64.2 110.824 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.62 -47.4 86.37 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.515 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -63.04 -42.81 99.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.13 110.57 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 HG12 ' A' ' 22' ' ' VAL . 63.5 t . . . . . 0 C--O 1.235 0.322 0 CA-C-N 116.014 -0.539 . . . . 73.44 110.638 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.063 -0.415 . . . . 54.31 112.063 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -78.0 168.02 22.67 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.805 2.337 . . . . 73.3 111.657 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.66 134.27 2.74 Favored Glycine 0 C--O 1.237 0.325 0 C-N-CA 120.863 -0.684 . . . . 63.2 112.462 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -82.17 149.42 27.94 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.995 -0.372 . . . . 75.22 109.995 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 mmt -83.13 -14.97 52.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.393 . . . . 70.25 110.339 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.69 125.23 28.2 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.187 -0.461 . . . . 73.43 110.323 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.4 pt -87.13 2.79 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.083 -0.508 . . . . 74.52 111.45 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.6 mmm -68.43 128.16 35.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.375 -0.375 . . . . 64.41 111.538 -175.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 p -97.02 29.42 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.32 0.581 . . . . 71.2 109.918 175.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.552 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 21.3 t70 -70.81 168.63 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.372 -0.831 . . . . 71.14 110.937 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -108.1 83.78 1.94 Allowed Pre-proline 0 CA--C 1.532 0.257 0 C-N-CA 122.735 0.414 . . . . 72.51 110.69 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 58.3 Cg_endo -101.77 -8.89 0.24 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.202 2.602 . . . . 75.11 113.238 176.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -94.71 -13.09 26.09 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.731 0.3 . . . . 73.14 111.256 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -115.35 18.13 16.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 64.53 111.247 -176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -81.05 112.97 18.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.821 -0.437 . . . . 73.4 109.821 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB3' ' HE ' ' A' ' 52' ' ' ARG . 9.2 pt-20 -64.29 -13.48 50.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.468 . . . . 72.15 110.859 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.19 -18.4 62.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.521 -0.763 . . . . 74.54 110.167 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.78 156.72 22.6 Favored Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.518 -0.633 . . . . 55.12 111.518 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -97.39 129.92 44.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.727 -0.472 . . . . 71.05 109.727 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -120.77 161.52 21.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.586 -0.279 . . . . 71.52 110.537 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.7 149.86 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 74.04 110.53 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 46' ' ' VAL . 47.0 t -99.19 125.11 52.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 109.02 -0.733 . . . . 75.34 109.02 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 45' ' ' VAL . 45.5 mt -108.9 168.97 8.97 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.885 0.74 . . . . 73.02 110.197 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.4 tt -146.84 148.56 16.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.118 -0.492 . . . . 72.04 110.456 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 38.3 t-20 -114.43 150.05 35.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.297 -1.371 . . . . 75.55 107.297 168.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 28' ' ' GLU . 12.2 m-20 -54.14 -18.72 4.04 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.267 0.839 . . . . 61.45 113.267 -168.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 4.9 mp0 -81.44 29.26 0.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.943 -0.391 . . . . 73.21 109.943 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 26' ' ' ASP . 29.2 mm-40 49.84 35.65 9.74 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.488 0.715 . . . . 74.33 111.386 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 30.6 mm-40 -83.81 116.21 22.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.722 . . . . 74.21 109.11 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -106.93 143.78 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.225 -0.287 . . . . 74.33 110.225 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 t -154.75 162.93 40.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.641 . . . . 53.22 109.268 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.1 tp -119.15 116.96 27.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 74.5 109.848 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -114.15 135.67 22.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 64.11 110.189 -171.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -84.37 154.35 12.33 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.902 2.401 . . . . 51.42 112.954 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -14.9 60.19 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.833 -0.622 . . . . 75.53 111.269 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -79.51 0.8 28.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.028 -0.533 . . . . 72.31 111.162 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.67 152.83 49.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 71.31 110.431 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -84.71 148.54 26.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.884 -0.413 . . . . 73.44 109.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 120.04 57.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 54.22 110.6 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.43 129.59 21.74 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.714 2.276 . . . . 75.04 112.573 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.55 34.25 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.833 -0.621 . . . . 52.4 110.636 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -19.97 27.51 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 111.468 -0.653 . . . . 61.12 111.468 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -111.43 130.86 55.57 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.831 -0.433 . . . . 65.54 109.831 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -108.03 144.65 35.07 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.645 0.26 . . . . 75.23 110.345 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.486 ' HA ' HD21 ' A' ' 23' ' ' LEU . 32.0 t -75.66 113.41 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 42.52 110.654 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -89.43 -32.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.96 0.41 . . . . 72.54 110.016 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -131.21 121.57 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 72.55 108.743 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.53 173.94 11.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.354 -0.451 . . . . 73.14 112.719 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.02 115.0 1.97 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.058 0.456 . . . . 70.24 110.981 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.461 ' HB1' ' HG ' ' A' ' 54' ' ' SER . . . -141.61 166.6 24.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 71.22 109.976 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 m -55.98 139.38 46.68 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 110.235 -0.283 . . . . 62.51 110.235 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.48 ' HE ' ' HB3' ' A' ' 16' ' ' GLU . 5.2 tmm_? -47.7 -34.65 8.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.534 0.568 . . . . 62.34 112.534 -170.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.12 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.851 0.315 . . . . 62.54 111.851 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.461 ' HG ' ' HB1' ' A' ' 50' ' ' ALA . 28.9 p -64.88 -42.35 94.89 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.285 -0.635 . . . . 73.43 109.285 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.453 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.8 m -55.69 -53.47 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.06 -0.973 . . . . 65.34 110.579 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.042 -0.527 . . . . 64.2 111.016 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 35.4 tt0 -58.49 -43.1 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.141 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -65.62 -54.38 28.55 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.03 -0.532 . . . . 75.13 110.755 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 55' ' ' CYS . 74.1 t -53.34 -42.81 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.935 0.398 . . . . 73.44 110.878 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.36 -26.55 68.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.529 -0.76 . . . . 75.12 111.422 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 70.1 mm-40 -95.63 -23.33 17.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.411 -0.359 . . . . 74.24 111.16 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.4 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 47.5 t-80 -92.34 13.9 18.04 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.505 0.557 . . . . 73.44 112.505 -170.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -53.17 -51.49 61.88 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.744 -0.465 . . . . 75.22 109.744 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p 49.52 21.37 0.59 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.928 . . . . 62.45 113.485 172.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 68.32 115.95 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.327 0.584 . . . . 73.45 111.169 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.647 HG23 ' HD2' ' A' ' 68' ' ' PRO . 48.1 mt -75.75 148.38 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.79 -0.641 . . . . 55.33 111.525 -172.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 80.4 mtp180 -74.33 -61.89 1.11 Allowed Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.986 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 66' ' ' ILE . 57.4 Cg_endo -69.46 129.64 18.27 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 121.848 1.699 . . . . 54.14 112.317 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -83.64 106.17 15.15 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.271 -0.422 . . . . 64.14 110.812 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.3 t -110.41 147.04 34.81 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.001 0.429 . . . . 41.44 110.537 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.57 HD23 ' H ' ' A' ' 71' ' ' LEU . 1.6 pt? -121.86 1.74 9.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 53.43 109.954 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -93.06 128.36 38.92 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.337 -0.616 . . . . 54.12 109.337 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.08 163.89 29.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.006 0.431 . . . . 70.21 111.489 -175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -96.77 -60.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.894 -0.78 . . . . 75.42 108.894 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.488 ' HG ' ' H ' ' A' ' 77' ' ' SER . 42.6 tp -166.44 146.18 5.91 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.395 -0.82 . . . . 72.41 109.136 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.53 -3.61 44.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.918 0.34 . . . . 72.54 111.918 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.488 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 52.3 m -151.77 -176.48 5.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.62 0.248 . . . . 75.32 110.534 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.11 148.56 10.48 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.325 -0.464 . . . . 74.32 112.001 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -141.51 165.06 28.53 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 110.312 -0.255 . . . . 65.34 110.312 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.86 -0.967 . . . . 64.22 111.726 -178.593 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.111 -0.396 . . . . 54.31 112.111 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.04 12.45 2.01 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.073 2.515 . . . . 73.3 112.782 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.85 45.06 1.37 Allowed Glycine 0 C--N 1.33 0.234 0 N-CA-C 111.923 -0.471 . . . . 63.2 111.923 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.6 p -76.57 87.56 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.991 0.424 . . . . 75.22 110.491 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.7 ttt -75.43 96.39 3.44 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.104 -0.498 . . . . 70.25 110.396 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -95.75 -34.19 12.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.984 -0.553 . . . . 73.43 110.401 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.5 mt -104.7 128.35 58.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.714 -0.675 . . . . 74.52 110.282 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -80.08 73.64 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.27 0.557 . . . . 64.41 110.556 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 m -75.04 163.07 27.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.772 -0.649 . . . . 71.2 110.724 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -94.27 169.76 10.0 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.404 -0.362 . . . . 71.14 110.183 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.602 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 93.8 m-20 -105.15 127.37 28.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.572 -0.529 . . . . 72.51 109.572 173.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -71.01 -3.14 12.23 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.745 2.297 . . . . 75.11 112.361 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 27.2 p90 -118.39 14.69 13.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.968 -0.56 . . . . 73.14 110.975 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.602 ' HB2' ' HB2' ' A' ' 11' ' ' ASN . 27.7 t70 -107.44 28.41 8.15 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.226 0.536 . . . . 64.53 110.95 -173.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -82.99 151.79 25.7 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.101 -0.374 . . . . 73.4 110.715 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.18 -31.7 67.52 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.15 -0.477 . . . . 72.15 111.601 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.43 -22.5 61.84 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.014 -0.539 . . . . 74.54 111.502 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.47 122.69 6.87 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.636 -0.792 . . . . 55.12 111.263 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.0 mtp -74.58 127.62 33.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.726 -0.472 . . . . 71.05 109.726 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 7.5 m-85 -126.13 169.91 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 71.52 110.1 -177.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.51 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -120.86 159.48 25.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.833 0.349 . . . . 74.04 110.765 175.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.521 ' O ' HG21 ' A' ' 46' ' ' VAL . 30.7 t -108.13 127.91 63.98 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.341 -0.985 . . . . 75.34 108.341 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD21 ' HA ' ' A' ' 45' ' ' VAL . 67.1 mt -105.72 173.41 6.32 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.727 0.642 . . . . 73.02 111.016 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.465 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 10.9 tt -149.4 154.91 8.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.537 174.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.8 t-20 -125.26 150.19 47.29 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.64 -1.245 . . . . 75.55 107.64 168.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.24 -13.72 5.69 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.098 0.874 . . . . 61.45 112.969 -167.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.684 ' HG3' ' HG2' ' A' ' 29' ' ' GLN . 4.3 pt-20 -90.42 35.14 0.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.821 -0.807 . . . . 73.21 108.821 168.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' ASN . 36.0 mt-10 56.21 24.15 7.79 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 114.486 -1.234 . . . . 74.33 111.784 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.684 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 78.0 mm-40 -70.34 156.5 39.22 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.342 -0.614 . . . . 74.21 109.342 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -144.35 153.21 41.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.269 -0.271 . . . . 74.33 110.269 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 t -173.58 146.34 1.31 Allowed 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.916 -0.772 . . . . 53.22 108.916 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.98 115.48 30.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.165 -0.68 . . . . 74.5 109.165 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -115.06 134.11 22.57 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.585 -0.28 . . . . 64.11 110.39 -172.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 67.5 Cg_endo -82.73 154.74 15.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.682 2.255 . . . . 51.42 113.393 -176.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 p -62.17 -21.2 64.88 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.459 -0.791 . . . . 75.53 111.151 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 13' ' ' PHE . 21.6 m-85 -80.17 6.55 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.388 -0.824 . . . . 72.31 111.17 -176.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.49 153.28 43.5 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.141 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.66 150.72 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.601 -0.272 . . . . 73.44 110.875 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.68 119.85 69.14 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-N 115.75 -0.659 . . . . 54.22 110.411 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.81 133.94 38.37 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.482 2.121 . . . . 75.04 112.202 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.46 128.24 33.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.052 -0.522 . . . . 52.4 110.381 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.85 -18.26 29.28 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.702 -0.559 . . . . 61.12 111.702 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -111.35 144.49 40.46 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.567 -0.531 . . . . 65.54 109.567 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -122.34 150.41 42.43 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.957 -0.386 . . . . 75.23 109.957 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' HA ' HD21 ' A' ' 23' ' ' LEU . 40.8 t -79.9 118.66 27.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 42.52 110.385 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 22' ' ' VAL . 4.3 m -95.23 -34.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.187 0.518 . . . . 72.54 109.864 176.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -125.4 113.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.836 -0.802 . . . . 72.55 108.836 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.98 -178.87 6.93 Favored Glycine 0 CA--C 1.52 0.4 0 O-C-N 123.463 0.477 . . . . 73.14 113.335 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 1.8 mp0 -55.14 119.02 4.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 122.57 0.348 . . . . 70.24 110.762 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.95 166.77 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 71.22 110.462 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.6 t -59.86 155.57 16.09 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.718 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' O ' HG22 ' A' ' 56' ' ' VAL . 14.1 tpt180 -53.02 -49.62 65.91 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.945 -0.571 . . . . 62.34 111.422 -174.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.72 67.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.874 0.369 . . . . 62.54 111.664 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -67.44 -48.95 65.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.475 0.655 . . . . 73.43 110.111 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.438 ' O ' HG21 ' A' ' 59' ' ' VAL . 36.0 m -59.53 -48.71 80.59 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 65.34 110.307 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 52' ' ' ARG . 95.2 t -60.44 -40.66 84.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.199 -0.455 . . . . 64.2 110.617 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.69 -47.15 86.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.984 -0.553 . . . . 72.21 110.176 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -64.08 -43.56 95.05 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.784 -0.366 . . . . 75.13 110.941 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 55' ' ' CYS . 71.9 t -53.39 -42.39 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.918 0.389 . . . . 73.44 110.173 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.3 -39.36 92.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.796 -0.638 . . . . 75.12 110.706 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -66.59 -25.4 66.6 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.94 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -87.74 10.86 16.9 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.372 -0.376 . . . . 73.44 110.749 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -59.91 -11.5 5.72 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.851 0.461 . . . . 75.22 111.959 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -84.34 17.87 2.42 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.445 -0.343 . . . . 62.45 111.445 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -79.76 137.14 36.92 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.647 -0.251 . . . . 73.45 110.455 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -95.95 -45.68 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.145 0.497 . . . . 55.33 111.954 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 51.0 mtp180 65.37 85.84 0.15 Allowed Pre-proline 0 C--N 1.31 -1.148 0 CA-C-N 115.03 -0.987 . . . . 74.24 111.008 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.23 -15.29 49.43 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.783 2.322 . . . . 54.14 112.22 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -155.68 146.5 22.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.329 -0.396 . . . . 64.14 111.216 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 m -141.97 134.31 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.511 -0.922 . . . . 41.44 108.511 171.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.78 158.68 15.38 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.854 0.359 . . . . 53.43 111.594 -171.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -50.59 -43.25 56.54 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.359 -0.837 . . . . 54.12 111.911 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -108.98 25.94 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.227 0.537 . . . . 70.21 110.991 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HD3' ' HG3' ' A' ' 29' ' ' GLN . 39.1 ttmt -128.53 84.1 2.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.777 -0.823 . . . . 75.42 108.777 172.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.484 HD21 ' N ' ' A' ' 75' ' ' LEU . 1.9 pt? -153.93 136.06 14.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.869 -0.605 . . . . 72.41 110.022 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -117.9 104.76 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 72.54 110.59 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 p -83.15 84.85 7.32 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.002 0.43 . . . . 75.32 109.999 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.91 -170.15 40.53 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.889 -0.596 . . . . 74.32 111.714 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.463 ' N ' ' OE1' ' A' ' 79' ' ' GLN . 19.4 mp0 -91.48 85.66 5.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.367 . . . . 65.34 110.122 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 N-CA-C 111.007 -0.837 . . . . 64.22 111.007 179.197 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.837 -0.505 . . . . 54.31 111.837 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -79.78 39.07 0.79 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.921 2.414 . . . . 73.3 112.348 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.29 -30.0 73.4 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 116.086 -0.506 . . . . 63.2 112.682 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.8 t -88.99 -12.34 41.73 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 122.859 -0.201 . . . . 75.22 110.668 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 51.0 tpp -74.76 78.32 2.07 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.268 0.556 . . . . 70.25 110.075 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -105.78 39.03 1.85 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.475 -0.784 . . . . 73.43 110.533 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 pt -125.42 159.67 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.445 -0.798 . . . . 74.52 109.307 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.0 mtm 68.2 13.97 9.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.144 0.497 . . . . 64.41 110.524 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.8 m -102.82 150.53 23.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.864 -0.607 . . . . 71.2 110.134 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -62.08 154.03 28.13 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.864 -0.421 . . . . 71.14 109.864 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -137.07 143.15 40.92 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.575 0.226 . . . . 72.51 110.964 -173.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.56 16.82 1.88 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 122.917 2.411 . . . . 75.11 113.46 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -118.42 8.48 12.14 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.963 0.411 . . . . 73.14 110.845 176.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -83.35 -24.23 32.16 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.019 -0.537 . . . . 64.53 109.815 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.47 134.51 54.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.353 -0.84 . . . . 73.4 110.77 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -88.85 -22.4 23.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.902 0.382 . . . . 72.15 110.799 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -91.73 -21.25 20.83 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.97 -0.559 . . . . 74.54 110.983 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.11 139.4 32.44 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.968 -0.634 . . . . 55.12 111.612 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.6 mtp -90.18 127.5 36.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.331 -0.618 . . . . 71.05 109.331 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' HB2' HD12 ' A' ' 32' ' ' LEU . 4.9 m-85 -128.64 161.62 29.23 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.552 -0.536 . . . . 71.52 109.552 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.13 147.17 34.19 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.627 0.251 . . . . 74.04 110.916 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 46' ' ' VAL . 92.0 t -96.74 129.11 47.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.328 -0.619 . . . . 75.34 109.328 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 45' ' ' VAL . 44.5 mt -113.13 169.99 8.54 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.866 -0.606 . . . . 73.02 110.279 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.4 tt -147.69 148.26 16.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.412 -0.358 . . . . 72.04 110.742 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.2 t30 -119.78 155.29 32.81 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.484 -0.932 . . . . 75.55 108.484 169.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 28' ' ' GLU . 36.6 t70 -50.5 -31.19 14.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.287 0.847 . . . . 61.45 113.287 -165.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.697 ' HA ' ' HB3' ' A' ' 68' ' ' PRO . 2.1 mp0 -74.57 29.51 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 122.19 -0.319 . . . . 73.21 111.124 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 26' ' ' ASP . 78.8 mm-40 50.37 32.52 6.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 122.666 0.386 . . . . 74.33 111.187 -173.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.543 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 90.0 mt-30 -72.47 115.65 11.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.679 -1.23 . . . . 74.21 107.679 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -108.41 131.93 54.27 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.918 -0.771 . . . . 74.33 108.918 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -154.15 178.02 10.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.122 0.487 . . . . 53.22 110.762 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 20' ' ' PHE . 42.2 tp -133.72 136.24 44.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.331 -0.849 . . . . 74.5 109.484 -174.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -132.09 131.49 22.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 110.419 -0.215 . . . . 64.11 110.419 -174.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 87.5 Cg_endo -77.97 155.82 30.29 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.594 2.196 . . . . 51.42 113.11 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.5 p -64.59 -13.95 55.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.798 -0.637 . . . . 75.53 111.322 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -77.12 -17.89 58.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.966 -0.561 . . . . 72.31 111.645 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.9 175.19 5.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.66 0.267 . . . . 71.31 111.214 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -107.35 152.61 23.92 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.089 -0.505 . . . . 73.44 110.713 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.94 122.92 84.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.942 -0.572 . . . . 54.22 110.819 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.92 133.39 29.05 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.61 2.207 . . . . 75.04 111.892 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.16 128.43 24.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.78 -0.646 . . . . 52.4 111.066 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.79 -28.2 12.89 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.052 -0.522 . . . . 61.12 111.908 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -95.01 134.09 38.07 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 110.321 -0.252 . . . . 65.54 110.321 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -109.56 150.3 28.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.205 -0.295 . . . . 75.23 110.205 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' HA ' HD22 ' A' ' 23' ' ' LEU . 36.3 t -81.83 114.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 42.52 110.524 -178.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -90.61 -32.08 5.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.175 0.512 . . . . 72.54 110.017 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.96 125.39 26.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.909 -0.774 . . . . 72.55 108.909 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.5 176.16 14.74 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.336 -0.459 . . . . 73.14 112.317 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -55.34 111.19 0.82 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.435 0.636 . . . . 70.24 111.343 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.53 166.76 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.253 -0.885 . . . . 71.22 109.746 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -53.62 132.87 41.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.306 -0.406 . . . . 62.51 109.952 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.62 -38.76 15.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.814 -0.63 . . . . 62.34 111.403 -172.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.61 84.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.794 -0.184 . . . . 62.54 111.369 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -60.36 -39.99 89.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.51 0.672 . . . . 73.43 109.484 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.424 ' O ' HG21 ' A' ' 59' ' ' VAL . 57.3 m -62.63 -47.07 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.866 -1.061 . . . . 65.34 110.777 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 52' ' ' ARG . 86.4 t -64.56 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.373 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -56.58 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.723 177.274 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.37 -56.96 15.15 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.554 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 63' ' ' TRP . 64.1 t -52.98 -53.1 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.906 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -51.68 -47.21 63.95 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.736 -0.666 . . . . 75.12 111.948 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 83.0 mt-30 -67.71 -47.84 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.432 -0.349 . . . . 74.24 111.493 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -90.34 2.32 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 73.44 111.21 -174.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.469 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 67.9 t90 -70.62 -30.86 67.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.699 -0.228 . . . . 75.22 110.99 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.3 m -63.86 -27.29 69.06 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.094 -0.503 . . . . 62.45 111.707 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.44 88.61 6.99 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.561 -0.291 . . . . 73.45 110.796 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 71.8 mt -135.92 129.0 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.18 -0.464 . . . . 55.33 110.139 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.613 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . 18.1 ttp180 166.27 86.94 0.02 OUTLIER Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 123.648 0.779 . . . . 74.24 109.487 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.697 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 74.2 Cg_endo -77.08 98.24 1.21 Allowed 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.707 2.271 . . . . 54.14 113.188 177.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm 73.5 -47.68 0.66 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.854 0.862 . . . . 64.14 113.184 169.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -79.53 -169.58 1.98 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.75 0.785 . . . . 41.44 113.083 -163.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.8 tp -72.43 -53.71 11.43 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.537 -1.21 . . . . 53.43 112.288 -170.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.47 ' NH2' ' HB1' ' A' ' 76' ' ' ALA . 46.9 ttt180 -95.81 147.91 23.15 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.372 -0.376 . . . . 54.12 110.799 -171.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.613 ' HA ' ' HB2' ' A' ' 67' ' ' ARG . 2.5 mp0 -74.25 -72.29 0.29 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.296 0.57 . . . . 70.21 110.593 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -125.49 164.18 21.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.33 -0.85 . . . . 75.42 109.964 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 76' ' ' ALA . 3.4 tm? -64.89 139.2 58.74 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.342 -0.985 . . . . 72.41 108.342 172.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.47 ' HB1' ' NH2' ' A' ' 72' ' ' ARG . . . -146.74 98.15 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.959 0.409 . . . . 72.54 111.024 -174.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.2 p -75.18 -49.21 20.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.597 -0.729 . . . . 75.32 109.564 173.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 143.37 173.99 15.33 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.379 -0.828 . . . . 74.32 111.735 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -111.31 -29.25 7.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.401 . . . . 65.34 110.079 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.92 0 CA-C-O 118.362 -1.243 . . . . 64.22 112.022 178.284 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.241 -0.343 . . . . 54.31 112.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.99 98.07 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.351 2.034 . . . . 73.3 111.276 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.14 -28.25 49.97 Favored Glycine 0 C--N 1.332 0.345 0 N-CA-C 111.767 -0.533 . . . . 63.2 111.767 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 p -86.76 144.51 27.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.941 -0.392 . . . . 75.22 109.941 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 51.1 ttm -146.16 133.23 20.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.22 -0.289 . . . . 70.25 110.22 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.511 ' H ' ' HD3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -133.17 134.8 44.6 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.657 -0.497 . . . . 73.43 109.657 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.7 pt -94.34 134.66 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.324 -0.398 . . . . 74.52 110.906 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.0 mtp -78.49 94.25 4.91 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.535 -0.543 . . . . 64.41 109.535 175.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -142.75 139.64 31.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.218 -0.446 . . . . 71.2 110.536 -178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.95 145.55 55.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 71.14 110.862 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.517 HD21 ' N ' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -101.07 112.49 65.03 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 72.51 109.415 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -62.96 -11.44 24.62 Favored 'Trans proline' 0 N--CA 1.479 0.62 0 C-N-CA 123.04 2.493 . . . . 75.11 113.384 -173.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -95.96 15.06 21.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.87 0.367 . . . . 73.14 111.225 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.441 ' HA ' HH12 ' A' ' 52' ' ' ARG . 7.4 p-10 -74.94 -0.25 18.03 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.408 -0.36 . . . . 64.53 111.206 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -86.02 -175.91 5.75 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.723 -0.473 . . . . 73.4 109.723 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -134.84 3.54 3.23 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.536 0.684 . . . . 72.15 112.338 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.67 -17.68 62.85 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 114.863 -1.062 . . . . 74.54 111.671 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.58 163.66 15.89 Favored Glycine 0 C--O 1.234 0.136 0 C-N-CA 120.997 -0.621 . . . . 55.12 111.926 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.8 mtp -86.84 142.37 28.12 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.695 -0.854 . . . . 71.05 108.695 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' A' ' 32' ' ' LEU . 12.2 m-85 -128.55 152.71 47.98 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.24 -0.184 . . . . 71.52 110.509 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' A' ' 35' ' ' THR . 0.2 OUTLIER -107.43 147.55 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.889 -0.412 . . . . 74.04 109.889 171.544 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.528 ' O ' HG21 ' A' ' 46' ' ' VAL . 57.2 t -97.55 122.82 49.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 109.16 -0.681 . . . . 75.34 109.16 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.7 mt -109.53 160.22 16.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.602 -0.726 . . . . 73.02 109.808 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.9 tt -134.97 128.59 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.711 -0.477 . . . . 72.04 109.711 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.557 HD22 ' HB3' ' A' ' 74' ' ' LYS . 28.3 t-20 -77.18 147.94 36.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.99 -1.115 . . . . 75.55 107.99 173.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.476 ' C ' ' H ' ' A' ' 28' ' ' GLU . 7.7 t70 -54.51 -26.12 29.75 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.066 0.854 . . . . 61.45 110.522 -173.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.646 ' HA ' ' HB3' ' A' ' 68' ' ' PRO . 1.5 mp0 -72.65 21.11 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.399 -0.819 . . . . 73.21 111.266 172.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 26' ' ' ASP . 47.4 mt-10 61.3 29.25 18.54 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.267 0.627 . . . . 74.33 110.754 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.518 ' HA ' HG12 ' A' ' 66' ' ' ILE . 88.1 mt-30 -89.85 125.1 35.21 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.763 -0.375 . . . . 74.21 110.705 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -84.47 142.15 30.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.209 -0.293 . . . . 74.33 110.209 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 p -155.18 162.71 40.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.438 . . . . 53.22 111.142 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD13 ' HB2' ' A' ' 20' ' ' PHE . 31.5 tp -128.6 129.92 46.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.637 -0.875 . . . . 74.5 108.637 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -129.88 135.55 27.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.239 -0.282 . . . . 64.11 110.239 -172.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -79.23 151.74 23.51 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.682 2.255 . . . . 51.42 113.139 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.443 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 15.0 p -59.12 -30.57 68.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.341 -0.845 . . . . 75.53 112.093 -177.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.8 -25.34 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.842 -0.617 . . . . 72.31 111.069 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.83 147.91 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.582 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -87.23 149.62 24.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 73.44 110.45 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.14 121.57 78.94 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.04 -0.527 . . . . 54.22 110.902 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.29 131.93 18.55 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.653 2.236 . . . . 75.04 112.494 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.54 128.39 31.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.918 -0.583 . . . . 52.4 111.205 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 -23.41 21.32 Favored Glycine 0 N--CA 1.454 -0.165 0 N-CA-C 110.984 -0.846 . . . . 61.12 110.984 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 25' ' ' ASN . 59.3 m95 -103.64 122.26 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.855 -0.795 . . . . 65.54 108.855 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -100.86 143.77 30.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.16 -0.311 . . . . 75.23 110.16 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.2 t -75.43 123.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 42.52 110.345 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 22' ' ' VAL . 2.3 m -101.67 -34.52 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.598 -0.519 . . . . 72.54 109.598 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.84 120.22 19.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.487 -0.931 . . . . 72.55 108.487 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.26 -178.68 7.28 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.226 -0.511 . . . . 73.14 112.598 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.72 114.72 1.81 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.175 0.512 . . . . 70.24 110.673 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -140.94 166.96 23.36 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.633 -0.712 . . . . 71.22 110.462 -175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.5 t -62.46 152.91 33.08 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.721 -0.672 . . . . 62.51 111.082 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' O ' HG21 ' A' ' 56' ' ' VAL . 18.4 tpt180 -47.31 -52.66 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.782 -1.099 . . . . 62.34 112.638 -176.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.96 79.28 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.0 0.37 . . . . 62.54 112.0 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 m -56.6 -47.29 79.9 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.401 0.62 . . . . 73.43 110.209 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.426 ' O ' HG22 ' A' ' 59' ' ' VAL . 61.9 m -61.68 -51.35 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.996 -1.002 . . . . 65.34 111.001 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 52' ' ' ARG . 76.4 t -58.37 -44.33 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 120.948 0.404 . . . . 64.2 110.674 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 72.21 110.521 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.38 -46.29 87.17 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.472 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 55' ' ' CYS . 86.4 t -55.49 -44.99 78.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.733 175.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.32 -38.81 81.24 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.978 -0.556 . . . . 75.12 111.167 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.76 -36.8 84.23 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.327 0.584 . . . . 74.24 110.606 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -94.55 13.98 22.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.81 -0.632 . . . . 73.44 111.603 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -48.61 -61.62 1.93 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.015 0.436 . . . . 75.22 109.892 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.9 m -96.34 93.28 6.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.924 -0.58 . . . . 62.45 109.507 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -156.83 2.0 0.13 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.961 -0.563 . . . . 73.45 111.013 -176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' A' ' 29' ' ' GLN . 54.0 mt -93.65 117.29 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 119.275 -0.393 . . . . 55.33 111.338 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.687 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 2.5 mmp_? -170.79 70.09 0.53 Allowed Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 122.979 0.511 . . . . 74.24 110.825 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.646 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 19.6 Cg_endo -59.84 -36.41 90.99 Favored 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 122.865 2.377 . . . . 54.14 112.077 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 69.33 -9.37 0.63 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.974 0.731 . . . . 64.14 112.974 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.0 p -84.35 16.52 3.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.802 0.334 . . . . 41.44 111.304 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.9 mt 64.74 12.96 8.07 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.034 0.533 . . . . 53.43 111.061 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 72' ' ' ARG . 3.0 mmp_? -96.46 136.18 37.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 54.12 109.786 174.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -151.7 89.98 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.584 -0.895 . . . . 70.21 108.584 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.588 ' HZ2' ' HB2' ' A' ' 74' ' ' LYS . 4.0 ttmp? -78.79 122.7 26.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.325 -0.398 . . . . 75.42 110.705 -176.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.2 tp -72.32 136.74 46.3 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.371 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.9 122.52 28.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.745 -0.661 . . . . 72.54 110.422 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 t -150.25 164.26 36.19 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.591 -0.522 . . . . 75.32 109.591 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.9 -50.5 0.47 Allowed Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.038 -0.601 . . . . 74.32 112.348 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 60.33 30.5 19.87 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.849 0.357 . . . . 65.34 110.942 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.783 -1.009 . . . . 64.22 112.343 -178.829 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.728 -0.549 . . . . 54.31 111.728 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.65 131.86 15.24 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.502 2.135 . . . . 73.3 111.586 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.68 -87.83 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.066 -0.588 . . . . 63.2 111.665 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.8 m -74.15 109.11 7.38 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.104 -0.332 . . . . 75.22 110.104 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.6 ptp -147.84 163.4 36.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 70.25 109.681 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -88.86 117.17 27.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.374 -0.375 . . . . 73.43 110.171 -176.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt 69.77 103.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 123.955 0.784 . . . . 74.52 110.79 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -149.66 -166.9 2.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.735 . . . . 64.41 109.698 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 m -56.71 164.51 1.46 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.402 -0.363 . . . . 71.2 110.595 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -54.04 134.2 43.7 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.997 0.427 . . . . 71.14 111.492 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' PHE . 22.4 t-20 -57.42 138.11 81.3 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.334 -0.848 . . . . 72.51 109.948 177.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.77 16.12 0.07 OUTLIER 'Trans proline' 0 N--CA 1.482 0.836 0 C-N-CA 123.193 2.595 . . . . 75.11 114.64 -172.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 11' ' ' ASN . 20.4 m-85 -112.19 11.99 20.34 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 110.066 -0.346 . . . . 73.14 110.066 173.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.02 8.32 13.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.298 -0.41 . . . . 64.53 110.883 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.55 104.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.802 -0.635 . . . . 73.4 111.73 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -62.99 -21.42 66.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.925 0.393 . . . . 72.15 110.843 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.38 -19.61 31.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.593 -0.73 . . . . 74.54 111.211 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.9 157.16 46.77 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.947 -0.644 . . . . 55.12 112.994 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.7 mmm -104.11 126.8 51.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.594 -0.891 . . . . 71.05 108.594 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' HB2' HD11 ' A' ' 32' ' ' LEU . 3.6 m-85 -133.42 154.13 51.03 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.273 -0.64 . . . . 71.52 109.273 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 142.88 34.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.283 -0.265 . . . . 74.04 110.283 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.5 ' O ' HG21 ' A' ' 46' ' ' VAL . 61.8 t -94.46 124.22 46.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 N-CA-C 109.093 -0.706 . . . . 75.34 109.093 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 45' ' ' VAL . 48.3 mt -106.84 167.11 10.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.661 -0.7 . . . . 73.02 110.185 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 28' ' ' GLU . 8.1 tt -146.92 136.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.104 -0.498 . . . . 72.04 110.036 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -92.36 150.97 20.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.481 -0.933 . . . . 75.55 108.481 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.09 -7.7 2.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.023 0.827 . . . . 61.45 112.252 -171.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.713 ' HG3' ' HB2' ' A' ' 29' ' ' GLN . 10.0 pt-20 -82.71 16.64 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.635 -0.505 . . . . 73.21 109.635 169.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 24' ' ' ILE . 40.9 mt-10 58.23 40.27 24.94 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 121.681 0.753 . . . . 74.33 110.238 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.713 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.0 116.63 32.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.33 -0.85 . . . . 74.21 110.109 -179.603 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -87.17 144.37 26.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.752 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 t -149.1 165.66 31.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.348 -0.612 . . . . 53.22 109.348 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 20' ' ' PHE . 44.9 tp -126.86 118.37 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.316 -0.624 . . . . 74.5 109.316 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.4 t-105 -116.76 125.61 28.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.352 -0.385 . . . . 64.11 110.133 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.85 156.04 27.03 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.672 2.248 . . . . 51.42 112.371 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 p -61.98 -15.12 41.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.039 -0.528 . . . . 75.53 111.578 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -70.22 -11.92 61.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.972 -0.558 . . . . 72.31 111.789 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.04 14.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.689 0.281 . . . . 71.31 111.097 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.9 152.65 21.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.396 -0.365 . . . . 73.44 110.596 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.59 120.73 79.19 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.082 -0.508 . . . . 54.22 111.49 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.68 133.95 19.48 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.717 2.278 . . . . 75.04 112.729 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.33 129.48 31.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.648 -0.705 . . . . 52.4 110.733 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.67 -23.83 21.12 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.472 -0.651 . . . . 61.12 111.472 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -107.76 118.99 38.19 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.427 -0.583 . . . . 65.54 109.427 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -100.2 142.03 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 75.23 110.144 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' HA ' HD23 ' A' ' 23' ' ' LEU . 30.6 t -74.34 112.68 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 42.52 110.453 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -87.71 -36.6 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.308 0.575 . . . . 72.54 109.61 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -130.53 124.77 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.437 -0.801 . . . . 72.55 108.872 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.78 178.37 8.98 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.185 -0.531 . . . . 73.14 112.512 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.66 111.2 0.85 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.312 0.577 . . . . 70.24 110.854 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.44 164.81 27.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.873 -0.603 . . . . 71.22 110.371 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -61.17 151.25 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.552 -0.295 . . . . 62.51 111.192 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' O ' HG21 ' A' ' 56' ' ' VAL . 11.4 tpt180 -47.07 -48.82 22.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 62.34 111.742 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.57 89.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.687 -0.233 . . . . 62.54 111.134 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -60.33 -42.9 96.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.113 0.482 . . . . 73.43 110.406 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' HG22 ' A' ' 59' ' ' VAL . 57.4 m -61.89 -48.28 81.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.781 -0.645 . . . . 65.34 110.75 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 52' ' ' ARG . 85.5 t -59.01 -48.46 86.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.464 -0.334 . . . . 64.2 111.065 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.63 -44.48 96.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 72.21 110.394 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.17 -47.71 84.79 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.759 -0.655 . . . . 75.13 110.679 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 55' ' ' CYS . 97.9 t -57.22 -46.69 84.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.005 -0.543 . . . . 73.44 110.676 175.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -55.27 -43.71 74.95 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.011 -0.54 . . . . 75.12 110.478 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -61.07 -41.38 96.54 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.935 -0.575 . . . . 74.24 110.967 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -94.57 13.51 23.89 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.759 -0.655 . . . . 73.44 111.796 -174.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -81.9 13.21 3.42 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 120.868 0.366 . . . . 75.22 110.65 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 p -59.38 -69.03 0.22 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.596 0.591 . . . . 62.45 112.596 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -121.08 143.28 49.16 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.903 0.383 . . . . 73.45 111.814 -173.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.418 HG22 ' HD2' ' A' ' 68' ' ' PRO . 61.0 mt -140.02 135.47 37.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 108.778 -0.823 . . . . 55.33 108.778 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 6.0 mmt180 -73.76 -50.74 5.53 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.798 0.666 . . . . 74.24 112.798 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 27' ' ' GLU . 56.5 Cg_endo -71.4 140.42 36.66 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 121.713 1.609 . . . . 54.14 111.076 173.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.712 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -68.36 100.1 1.02 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.89 0.376 . . . . 64.14 110.531 -178.403 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.5 p -55.63 123.74 15.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.874 -0.603 . . . . 41.44 110.259 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.7 mm? -76.48 -60.44 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.324 -0.621 . . . . 53.43 109.324 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 29.2 ptt180 -155.8 94.16 1.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.403 -0.817 . . . . 54.12 109.315 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -107.46 117.81 35.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.858 -0.61 . . . . 70.21 109.615 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -99.72 115.71 30.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 75.42 111.18 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.9 tp -126.51 136.03 52.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.811 -0.632 . . . . 72.41 109.298 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.9 -178.14 3.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.306 -0.406 . . . . 72.54 110.313 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.6 p -90.84 11.53 22.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.442 -0.345 . . . . 75.32 110.975 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.52 -65.29 3.44 Favored Glycine 0 C--N 1.331 0.257 0 N-CA-C 111.67 -0.572 . . . . 74.32 111.67 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.64 175.68 7.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.681 0.276 . . . . 65.34 110.344 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.586 -1.119 . . . . 64.22 111.154 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 112.095 -0.402 . . . . 54.31 112.095 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.28 102.22 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.605 2.203 . . . . 73.3 111.993 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.38 86.79 0.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.172 -0.771 . . . . 63.2 111.172 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.5 p -60.26 115.97 3.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.164 0.186 . . . . 75.22 110.817 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.8 tpt -77.58 61.85 2.4 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.225 -0.658 . . . . 70.25 109.225 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? 178.96 125.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.89 -1.05 . . . . 73.43 108.483 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 tt -154.95 144.8 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.644 0.259 . . . . 74.52 110.312 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -128.21 148.91 50.64 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.275 -0.639 . . . . 64.41 109.275 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.8 t -91.79 127.72 37.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 71.2 110.388 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.509 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 18.4 t70 -94.05 -167.31 1.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.346 -0.983 . . . . 71.14 108.346 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 41.5 m-80 -98.0 93.65 1.84 Allowed Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 118.062 0.392 . . . . 72.51 110.351 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 83.5 Cg_endo -77.78 1.54 8.76 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.69 2.26 . . . . 75.11 112.312 -175.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -109.37 -1.68 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 73.14 110.338 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -94.13 -34.2 13.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.169 0.509 . . . . 64.53 109.901 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.63 102.88 0.78 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.343 -0.844 . . . . 73.4 110.762 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' HG2' ' A' ' 52' ' ' ARG . 30.3 mt-10 -71.1 -7.29 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.871 -0.604 . . . . 72.15 110.957 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.29 -21.92 62.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.562 -0.744 . . . . 74.54 110.741 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.36 175.05 54.92 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 121.149 -0.548 . . . . 55.12 112.195 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 76.3 mtp -112.29 130.2 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.228 -0.656 . . . . 71.05 109.228 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.49 ' HB2' HD12 ' A' ' 32' ' ' LEU . 8.1 m-85 -126.33 159.14 34.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.806 -0.442 . . . . 71.52 109.806 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -111.82 149.62 31.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.708 0.29 . . . . 74.04 110.486 177.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.493 ' O ' HG21 ' A' ' 46' ' ' VAL . 55.5 t -100.83 127.27 54.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.83 -0.804 . . . . 75.34 108.83 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.29 167.4 10.73 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.815 0.341 . . . . 73.02 110.881 -175.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.3 tt -139.08 141.97 34.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 115.572 -0.74 . . . . 72.04 110.241 174.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 47.1 t-20 -103.55 151.58 22.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.83 -1.174 . . . . 75.55 107.83 170.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -47.84 -29.72 3.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.064 0.853 . . . . 61.45 111.925 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 59.6 mm-40 -77.97 32.36 0.17 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.167 -0.469 . . . . 73.21 111.242 175.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' HB2' ' H ' ' A' ' 67' ' ' ARG . 12.0 mm-40 54.91 24.74 6.08 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.928 0.491 . . . . 74.33 111.705 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.607 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.1 mt-30 -81.65 115.99 21.18 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.29 -0.564 . . . . 74.21 109.964 -174.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -103.21 132.27 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.606 -0.27 . . . . 74.33 110.672 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -151.61 -177.81 6.32 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.583 -0.525 . . . . 53.22 109.583 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 20' ' ' PHE . 52.8 tp -134.0 120.98 20.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.654 -0.248 . . . . 74.5 110.375 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -114.22 135.17 22.15 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.376 -0.375 . . . . 64.11 110.347 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.09 154.6 22.41 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.641 2.227 . . . . 51.42 113.104 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -60.28 -27.68 67.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.869 -0.605 . . . . 75.53 111.617 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 35.1 m-85 -79.44 2.55 21.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.759 -0.655 . . . . 72.31 111.774 -175.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.16 156.99 42.02 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.766 0.317 . . . . 71.31 110.796 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -84.96 139.06 32.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.681 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.64 117.58 29.41 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 123.42 0.45 . . . . 54.22 110.159 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.3 127.86 13.91 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.456 2.104 . . . . 75.04 112.169 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.36 128.35 33.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.08 -0.509 . . . . 52.4 110.22 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.98 -19.31 27.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.644 -0.582 . . . . 61.12 111.644 -174.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -114.66 125.31 53.6 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 65.54 109.515 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -103.62 147.37 27.29 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.136 -0.32 . . . . 75.23 110.136 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.35 114.28 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.669 0.271 . . . . 42.52 110.466 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.22 -28.91 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.147 -0.478 . . . . 72.54 110.61 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -131.67 122.56 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.832 -0.803 . . . . 72.55 108.832 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.88 -178.02 6.24 Favored Glycine 0 C--N 1.331 0.257 0 O-C-N 123.572 0.545 . . . . 73.14 113.105 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 2.1 mp0 -55.71 111.4 0.9 Allowed 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.645 -0.502 . . . . 70.24 109.645 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.02 166.42 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 71.22 111.019 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 t -62.74 152.23 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 62.51 110.986 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.481 ' HG2' ' HB3' ' A' ' 16' ' ' GLU . 19.8 tpt180 -49.11 -52.83 23.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.257 -0.883 . . . . 62.34 112.492 -174.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.21 97.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.488 0.185 . . . . 62.54 111.129 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -61.4 -47.48 85.59 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.074 0.464 . . . . 73.43 110.464 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 57.8 m -59.55 -51.76 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.488 -0.778 . . . . 65.34 110.764 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.93 -38.66 81.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.016 -0.538 . . . . 64.2 110.518 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.84 -44.31 97.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.724 -0.671 . . . . 72.21 110.668 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -62.34 -49.01 77.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.062 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.71 -36.61 55.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 115.942 -0.572 . . . . 73.44 110.627 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.23 -43.92 93.48 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.926 -0.579 . . . . 75.12 110.94 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -69.7 -37.54 76.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 74.24 110.809 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.02 13.64 22.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 73.44 111.08 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -49.62 -40.65 39.94 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.795 0.331 . . . . 75.22 111.057 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 p -72.64 -24.11 61.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.789 -0.641 . . . . 62.45 112.054 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.62 87.24 0.08 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.4 -0.364 . . . . 73.45 110.883 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 68' ' ' PRO . 38.6 mt -147.96 117.82 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.917 -0.771 . . . . 55.33 108.917 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.723 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 2.2 tmm_? -69.72 -52.57 13.6 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 110.094 -0.336 . . . . 74.24 110.094 -177.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 23.7 Cg_exo -65.92 161.31 40.09 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 121.927 1.751 . . . . 54.14 111.584 169.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -126.37 145.2 50.55 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.786 -0.45 . . . . 64.14 109.786 174.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.2 t -143.27 139.66 30.28 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.417 -0.356 . . . . 41.44 110.202 -177.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.67 93.84 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.429 -0.582 . . . . 53.43 109.429 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.551 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.3 mmp_? -81.51 -63.35 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 54.12 110.518 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -130.78 160.61 33.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.93 -0.577 . . . . 70.21 110.488 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -84.71 124.74 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.877 -0.786 . . . . 75.42 108.877 170.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.501 HD11 ' N ' ' A' ' 76' ' ' ALA . 3.6 pp -60.2 -24.37 64.75 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.177 0.513 . . . . 72.41 110.927 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.501 ' N ' HD11 ' A' ' 75' ' ' LEU . . . -139.73 119.59 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.747 -0.66 . . . . 72.54 109.539 175.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -69.38 110.5 4.72 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.531 -0.544 . . . . 75.32 109.531 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.64 -138.49 9.49 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 110.725 -0.95 . . . . 74.32 110.725 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -154.82 110.9 3.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.831 0.316 . . . . 65.34 110.18 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.839 -0.978 . . . . 64.22 111.29 179.13 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.038 -0.425 . . . . 54.31 112.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.84 148.9 63.87 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.053 2.502 . . . . 73.3 112.621 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.14 31.19 7.94 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.864 -0.607 . . . . 63.2 112.61 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 p -97.17 95.62 7.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.02 -0.363 . . . . 75.22 110.02 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.413 ' SD ' ' N ' ' A' ' 5' ' ' MET . 1.7 mpt? -83.02 130.81 35.18 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.997 -0.372 . . . . 70.25 109.997 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -105.41 142.74 34.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.297 -0.631 . . . . 73.43 109.297 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.575 ' HB ' ' HB2' ' A' ' 10' ' ' ASP . 53.4 mt -63.34 156.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.469 -0.567 . . . . 74.52 109.469 176.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.1 mtp -57.95 -59.51 5.14 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.509 -0.552 . . . . 64.41 109.509 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 t -82.13 73.73 9.15 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.32 -0.622 . . . . 71.2 109.32 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.575 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 28.2 t70 -145.72 136.74 24.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.453 -0.794 . . . . 71.14 108.99 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.583 ' ND2' ' HB2' ' A' ' 14' ' ' ASP . 22.2 t-20 -125.33 78.31 67.56 Favored Pre-proline 0 C--N 1.328 -0.366 0 O-C-N 123.104 0.253 . . . . 72.51 110.801 -172.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' OD1' ' A' ' 14' ' ' ASP . 92.4 Cg_endo -86.73 -51.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.675 2.25 . . . . 75.11 112.884 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -118.81 14.55 13.39 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.964 0.411 . . . . 73.14 110.717 -176.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.583 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 3.4 m-20 -101.09 2.92 40.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.997 -0.547 . . . . 64.53 111.041 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -86.49 -158.1 0.4 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.901 0.381 . . . . 73.4 111.542 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -114.4 -14.59 12.18 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.284 -0.416 . . . . 72.15 111.787 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -76.14 -23.0 54.8 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.054 0.454 . . . . 74.54 110.718 -173.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.07 137.41 15.08 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.886 -0.597 . . . . 55.12 112.012 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mtp -81.37 127.73 33.08 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.41 -0.589 . . . . 71.05 109.41 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -118.66 152.1 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.338 -0.392 . . . . 71.52 110.279 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -106.95 148.62 28.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.036 -0.357 . . . . 74.04 110.036 172.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 46' ' ' VAL . 60.7 t -98.6 123.57 51.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.876 -0.787 . . . . 75.34 108.876 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 45' ' ' VAL . 56.7 mt -103.19 172.0 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.949 0.781 . . . . 73.02 110.641 -175.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 4.1 tt -152.12 161.96 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.139 0.495 . . . . 72.04 111.031 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' N ' HG12 ' A' ' 24' ' ' ILE . 26.7 t-20 -130.97 155.3 47.05 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.764 -1.198 . . . . 75.55 107.764 166.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' CG ' HH12 ' A' ' 44' ' ' ARG . 18.7 m-20 -55.21 -17.66 4.75 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.966 0.791 . . . . 61.45 112.001 -169.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 22.8 mm-40 -80.31 24.7 0.43 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.026 -0.534 . . . . 73.21 110.571 173.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' HG3' ' NH1' ' A' ' 67' ' ' ARG . 30.9 mm-40 50.91 30.46 5.25 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.441 0.639 . . . . 74.33 110.613 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 32.5 tt0 -83.75 116.19 22.57 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.299 -0.864 . . . . 74.21 108.754 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -114.84 143.91 44.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.818 0.342 . . . . 74.33 111.707 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -151.69 -177.67 6.25 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.694 -0.685 . . . . 53.22 109.551 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -134.57 134.86 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.941 -0.392 . . . . 74.5 109.941 -175.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.488 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 14.5 t-105 -136.19 139.26 29.49 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-N 116.918 -0.128 . . . . 64.11 111.054 -172.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -83.91 152.98 12.96 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.719 2.28 . . . . 51.42 113.157 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -62.38 -27.21 68.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.476 -0.783 . . . . 75.53 111.701 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -67.67 -13.08 61.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 72.31 111.319 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.0 153.96 46.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.591 0.234 . . . . 71.31 110.457 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.26 152.29 22.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.59 -0.277 . . . . 73.44 110.778 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.1 t -56.01 128.01 70.38 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.801 -0.636 . . . . 54.22 111.39 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.42 142.53 45.27 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 122.843 2.362 . . . . 75.04 112.548 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.17 130.23 25.92 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 52.4 111.328 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.66 18.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.883 -0.599 . . . . 61.12 112.29 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -98.51 156.87 16.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.666 0.233 . . . . 65.54 110.832 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.43 HH12 ' CG ' ' A' ' 26' ' ' ASP . 5.1 ptp180 -138.46 149.52 45.53 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.384 -0.371 . . . . 75.23 110.254 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.484 ' HA ' HD23 ' A' ' 23' ' ' LEU . 52.2 t -76.2 133.88 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.484 -0.326 . . . . 42.52 110.809 -177.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -112.87 -39.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.093 -0.706 . . . . 72.54 109.093 172.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.53 121.83 41.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.162 -1.051 . . . . 72.55 108.162 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 178.12 16.04 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.116 -0.564 . . . . 73.14 112.708 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 111.41 0.87 Allowed 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.282 0.563 . . . . 70.24 110.407 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.98 166.76 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.524 -0.762 . . . . 71.22 110.467 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 p -58.44 156.99 9.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 62.51 111.109 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.476 ' O ' HG21 ' A' ' 56' ' ' VAL . 8.5 tpt180 -53.15 -52.31 59.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 62.34 111.599 -176.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.99 84.4 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.137 0.421 . . . . 62.54 112.137 -173.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 p -59.01 -48.76 80.44 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.228 0.537 . . . . 73.43 110.748 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.7 m -59.39 -48.14 82.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.504 -0.771 . . . . 65.34 110.502 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 52' ' ' ARG . 84.4 t -62.6 -38.52 81.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 115.871 -0.604 . . . . 64.2 110.636 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.41 -43.32 94.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 72.21 110.351 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -62.21 -55.42 28.77 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.356 -0.384 . . . . 75.13 110.369 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.12 -43.62 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.009 -0.541 . . . . 73.44 111.332 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.53 -49.35 77.73 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.495 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -61.71 -46.37 89.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.013 -0.54 . . . . 74.24 111.336 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -94.25 13.1 24.5 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.933 0.397 . . . . 73.44 110.712 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -57.38 -57.25 13.47 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.364 -0.38 . . . . 75.22 110.782 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 t -82.07 67.85 8.24 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.922 0.867 . . . . 62.45 111.566 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -156.39 27.87 0.34 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.427 -0.806 . . . . 73.45 110.346 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.76 115.14 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.227 -0.657 . . . . 55.33 109.227 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.579 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -64.36 -54.28 39.46 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.287 -0.415 . . . . 74.24 111.266 -173.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 50.6 Cg_endo -87.13 90.27 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.323 2.015 . . . . 54.14 111.955 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -79.49 80.13 5.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.512 -0.313 . . . . 64.14 111.096 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -56.8 -38.4 72.5 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.378 -0.601 . . . . 41.44 109.378 173.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 pp -119.5 149.97 41.02 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.217 -0.901 . . . . 53.43 109.256 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -116.59 172.61 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.038 -0.356 . . . . 54.12 110.038 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.97 -173.86 2.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.361 0.601 . . . . 70.21 111.683 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -169.59 78.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.853 -1.067 . . . . 75.42 108.269 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.7 tp -159.55 -46.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.531 -0.759 . . . . 72.41 110.125 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.66 92.9 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.588 -0.733 . . . . 72.54 110.607 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -80.13 -11.71 59.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.67 -0.695 . . . . 75.32 110.164 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.63 -76.39 1.16 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 115.76 -0.655 . . . . 74.32 112.123 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -174.96 -27.29 0.01 OUTLIER 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.479 0.657 . . . . 65.34 109.29 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.158 -1.357 . . . . 64.22 110.937 175.826 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.55 -0.62 . . . . 54.31 111.55 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.29 130.08 38.25 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.844 2.363 . . . . 73.3 112.279 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.02 -78.27 1.42 Allowed Glycine 0 CA--C 1.52 0.364 0 CA-C-N 116.035 -0.53 . . . . 63.2 112.855 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -67.53 97.42 0.59 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.815 0.341 . . . . 75.22 111.355 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.7 ptp -154.55 147.36 24.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.132 -0.485 . . . . 70.25 110.196 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.73 33.71 20.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.328 0.585 . . . . 73.43 111.144 177.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 tp -107.01 129.33 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.385 -0.825 . . . . 74.52 109.303 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.7 tpt 67.03 8.7 6.34 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.249 0.547 . . . . 64.41 110.645 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -100.05 -162.28 0.93 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.497 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.86 93.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.984 0.421 . . . . 71.14 110.212 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -104.16 129.77 24.55 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.718 -0.674 . . . . 72.51 109.382 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.03 14.0 0.22 Allowed 'Trans proline' 0 N--CA 1.477 0.544 0 C-N-CA 122.728 2.285 . . . . 75.11 113.98 -172.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -118.63 12.75 13.2 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.155 0.182 . . . . 73.14 110.96 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -95.36 20.94 8.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.84 0.352 . . . . 64.53 110.924 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.78 173.81 8.58 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.843 0.354 . . . . 73.4 110.945 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.12 -34.63 15.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.271 0.558 . . . . 72.15 110.944 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.27 -23.05 61.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.269 -0.878 . . . . 74.54 111.304 -173.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.64 127.33 16.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.854 -0.689 . . . . 55.12 111.81 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.7 mmm -82.97 127.56 33.65 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.677 -0.86 . . . . 71.05 108.677 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -120.41 157.6 28.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.666 0.269 . . . . 71.52 110.777 -173.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -115.79 149.1 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 74.04 110.007 172.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.7 t -106.02 129.79 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.933 -0.765 . . . . 75.34 108.933 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 45' ' ' VAL . 32.7 mt -107.8 173.73 6.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.847 -0.615 . . . . 73.02 110.875 -173.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.604 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.6 tt -147.32 148.54 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-O 121.0 0.429 . . . . 72.04 110.934 172.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.8 t30 -117.92 155.06 30.86 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.224 -1.028 . . . . 75.55 108.224 169.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' A' ' 28' ' ' GLU . 27.8 m-20 -49.39 -30.2 7.45 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 124.017 0.823 . . . . 61.45 112.419 -168.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 2.1 mp0 -75.38 31.19 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.881 176.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.513 ' HA ' HD12 ' A' ' 24' ' ' ILE . 41.9 mm-40 49.95 27.04 2.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.436 0.694 . . . . 74.33 111.869 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.604 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 98.7 mt-30 -80.21 116.14 20.14 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.459 -0.571 . . . . 74.21 109.459 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -107.45 145.51 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.981 -0.378 . . . . 74.33 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -156.45 171.62 19.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.067 -0.716 . . . . 53.22 109.067 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD11 HG21 ' A' ' 22' ' ' VAL . 39.0 tp -123.37 130.18 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.675 -0.491 . . . . 74.5 109.675 -175.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.401 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 12.0 t-105 -130.43 135.2 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 64.11 110.393 -174.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -83.07 153.87 14.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.578 2.186 . . . . 51.42 112.711 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -64.41 -12.64 45.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.788 -0.642 . . . . 75.53 111.517 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -82.17 -6.94 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.559 . . . . 72.31 111.692 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.41 37.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.896 0.379 . . . . 71.31 111.401 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.49 141.41 44.92 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.368 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.62 123.55 88.05 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 110.029 -0.36 . . . . 54.22 110.029 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.13 125.73 15.78 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 122.424 2.082 . . . . 75.04 111.745 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.21 128.16 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 52.4 110.581 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.7 -27.56 12.0 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.656 -0.578 . . . . 61.12 111.656 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -98.92 116.13 30.45 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.782 -0.451 . . . . 65.54 109.782 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -95.13 145.6 24.89 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 110.167 -0.308 . . . . 75.23 110.167 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.5 t -76.69 113.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 42.52 110.388 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.09 -32.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.326 0.584 . . . . 72.54 109.614 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -125.17 108.18 11.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.055 -1.091 . . . . 72.55 108.055 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.16 175.0 4.4 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.148 -0.548 . . . . 73.14 112.498 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -55.02 119.34 5.29 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.397 0.618 . . . . 70.24 110.065 -177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.51 166.85 28.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 71.22 110.754 -172.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.9 m -56.29 147.78 20.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.279 -0.873 . . . . 62.51 111.644 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' O ' HG21 ' A' ' 56' ' ' VAL . 9.1 tpt180 -47.14 -50.14 20.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.884 -1.053 . . . . 62.34 111.661 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.63 82.6 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.008 0.373 . . . . 62.54 112.008 -176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.28 -51.7 66.64 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.394 0.616 . . . . 73.43 110.2 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.3 m -56.97 -45.32 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.246 -0.888 . . . . 65.34 110.389 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 52' ' ' ARG . 75.5 t -63.66 -41.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.423 -0.353 . . . . 64.2 110.857 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.58 -42.8 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.29 -0.414 . . . . 72.21 110.57 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -70.41 -45.19 66.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.327 -0.549 . . . . 75.13 110.659 177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 55' ' ' CYS . 68.2 t -58.83 -33.0 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.61 -0.268 . . . . 73.44 111.049 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.01 -33.89 65.3 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.401 0.62 . . . . 75.12 110.539 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.91 -1.98 3.48 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.194 -0.912 . . . . 74.24 112.17 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -64.56 -1.32 1.74 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.098 0.407 . . . . 73.44 112.098 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -84.27 11.99 7.39 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.406 0.622 . . . . 75.22 109.978 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 p -74.84 -173.31 1.84 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.741 -0.663 . . . . 62.45 110.877 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.89 95.7 0.38 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.736 0.303 . . . . 73.45 111.605 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.6 mt -73.06 107.2 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.05 -0.722 . . . . 55.33 109.05 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.422 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 1.9 tmt_? -55.5 -54.76 47.67 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 115.708 -0.678 . . . . 74.24 112.178 -172.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 72.5 Cg_endo -73.25 -89.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.85 1.7 . . . . 54.14 112.879 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' A' ' 68' ' ' PRO . 32.2 mmmt -129.53 131.73 46.68 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.422 -0.585 . . . . 64.14 109.422 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 t -59.81 140.57 56.48 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.602 -0.518 . . . . 41.44 109.602 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -80.75 45.94 0.84 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.249 0.547 . . . . 53.43 111.106 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -10.99 60.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.211 -0.449 . . . . 54.12 111.13 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -71.68 -20.28 61.96 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.136 -0.484 . . . . 70.21 110.874 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -77.09 92.44 3.77 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.243 0.544 . . . . 75.42 110.388 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 76' ' ' ALA . 7.7 tt -77.15 134.32 38.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.43 -0.805 . . . . 72.41 109.23 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' HD23 ' A' ' 75' ' ' LEU . . . -145.86 -50.86 0.24 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.137 -0.938 . . . . 72.54 108.994 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.9 m -104.63 98.77 8.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.102 -0.954 . . . . 75.32 109.226 172.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.89 -126.61 1.84 Allowed Glycine 0 C--O 1.237 0.302 0 N-CA-C 111.436 -0.666 . . . . 74.32 111.436 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.51 82.83 7.77 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.468 -0.938 . . . . 65.34 108.468 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 119.024 -0.875 . . . . 64.22 111.478 -176.282 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.51 -0.636 . . . . 54.31 111.51 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -88.03 11.69 3.06 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.154 2.569 . . . . 73.3 112.615 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.31 -88.07 0.33 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.15 -0.548 . . . . 63.2 111.972 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t 58.22 20.19 6.9 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.088 0.471 . . . . 75.22 111.034 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -68.96 -40.65 78.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.978 -0.556 . . . . 70.25 111.22 -175.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -132.12 135.43 46.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 73.43 111.003 -176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.6 mp -95.25 -45.04 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.902 -0.59 . . . . 74.52 109.733 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -84.23 137.5 33.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.833 -0.622 . . . . 64.41 110.451 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -62.84 -39.12 93.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 71.2 111.538 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.58 108.04 19.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.422 -0.354 . . . . 71.14 111.072 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.518 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . 16.4 m120 -123.7 164.01 31.42 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 109.369 -0.604 . . . . 72.51 109.369 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 11' ' ' ASN . 37.0 Cg_endo -64.47 4.25 0.65 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.937 2.425 . . . . 75.11 113.839 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -118.23 14.51 13.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.328 . . . . 73.14 110.361 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.76 12.47 25.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.14 -0.482 . . . . 64.53 110.731 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -82.27 139.39 34.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.858 -0.423 . . . . 73.4 109.858 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 9.7 pt-20 -62.4 -19.55 63.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.401 . . . . 72.15 111.186 -177.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -74.78 -22.73 58.6 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.685 -0.688 . . . . 74.54 110.541 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.66 142.48 27.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.044 -0.598 . . . . 55.12 112.07 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.412 ' O ' HG23 ' A' ' 35' ' ' THR . 80.3 mtp -96.43 127.63 42.61 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.606 -0.516 . . . . 71.05 109.606 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -129.4 154.56 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.635 -0.506 . . . . 71.52 109.635 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 143.06 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.958 -0.386 . . . . 74.04 109.958 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 46' ' ' VAL . 58.6 t -95.79 128.82 46.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.315 -0.624 . . . . 75.34 109.315 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 45' ' ' VAL . 30.8 mt -114.46 167.03 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 73.02 109.491 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.8 tt -151.37 147.63 15.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.714 0.293 . . . . 72.04 110.42 175.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.6 t30 -110.87 155.64 22.31 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.75 -0.833 . . . . 75.55 108.75 170.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -58.66 -16.55 16.73 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.026 0.75 . . . . 61.45 113.026 -168.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 10.4 mp0 -83.73 34.04 0.48 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.099 -0.334 . . . . 73.21 110.099 170.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 49.19 30.33 3.0 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.08 0.552 . . . . 74.33 110.928 -177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.531 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 93.3 mt-30 -78.79 116.36 19.08 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.724 -0.473 . . . . 74.21 109.724 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -88.09 137.55 32.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.341 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 t -144.74 155.01 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.034 -0.358 . . . . 53.22 110.034 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -132.0 115.14 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.58 -0.896 . . . . 74.5 108.58 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -116.94 128.06 26.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 64.11 110.768 -170.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.51 157.8 36.39 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.593 2.195 . . . . 51.42 112.315 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 19' ' ' MET . 25.2 p -62.51 -14.1 37.93 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.735 -0.666 . . . . 75.53 111.984 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -79.02 0.17 28.78 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.059 -0.519 . . . . 72.31 111.905 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.87 163.38 32.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.851 0.357 . . . . 71.31 111.279 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -93.68 152.32 19.05 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.032 -0.531 . . . . 73.44 110.066 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.33 123.82 67.92 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.986 -0.552 . . . . 54.22 111.384 -177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -65.17 129.85 24.02 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.729 2.286 . . . . 75.04 112.585 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 128.14 19.72 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.322 -0.854 . . . . 52.4 111.157 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -27.96 12.39 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.99 -0.55 . . . . 61.12 111.918 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -95.41 135.58 36.86 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.178 -0.305 . . . . 65.54 110.178 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -102.88 142.54 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.603 -0.517 . . . . 75.23 109.603 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' HA ' HD22 ' A' ' 23' ' ' LEU . 41.0 t -79.43 112.29 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 42.52 110.6 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -90.46 -32.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.91 0.386 . . . . 72.54 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -138.42 127.01 23.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.098 -0.705 . . . . 72.55 109.098 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.81 174.06 29.6 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.222 -0.513 . . . . 73.14 112.222 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.65 111.06 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.261 0.553 . . . . 70.24 111.429 -177.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.46 166.39 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 71.22 109.624 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 t -62.52 164.42 7.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.826 0.346 . . . . 62.51 111.146 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 16' ' ' GLU . 14.4 tpp180 -50.35 -52.51 36.42 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.79 -0.641 . . . . 62.34 111.945 -175.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.73 76.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.516 -0.311 . . . . 62.54 111.618 -173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -55.22 -47.5 75.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.462 0.648 . . . . 73.43 110.18 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.506 ' O ' HG22 ' A' ' 59' ' ' VAL . 76.0 m -61.91 -49.31 76.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.112 -0.949 . . . . 65.34 111.04 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 52' ' ' ARG . 83.1 t -59.72 -44.77 94.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.787 0.327 . . . . 64.2 110.818 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -47.65 84.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.035 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -61.19 -45.97 92.38 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.474 -0.785 . . . . 75.13 110.372 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 55' ' ' CYS . 95.5 t -58.47 -41.16 80.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.508 176.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 62' ' ' HIS . 29.2 t70 -61.59 -29.38 70.0 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.843 0.354 . . . . 75.12 111.002 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.56 -2.07 0.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.995 -0.548 . . . . 74.24 112.471 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 60' ' ' ASP . 26.6 p80 -65.87 11.38 0.08 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.382 0.882 . . . . 73.44 113.382 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -74.88 -2.0 24.89 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.244 0.475 . . . . 75.22 112.077 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.9 m -75.54 -57.26 3.99 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.559 0.219 . . . . 62.45 111.549 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -147.52 146.37 29.45 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.034 0.383 . . . . 73.45 112.034 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.537 HG23 ' HG ' ' A' ' 71' ' ' LEU . 38.0 mm -139.87 111.67 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 108.546 -0.909 . . . . 55.33 108.546 171.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.572 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 2.8 mmp_? -64.41 -52.47 53.16 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 111.984 0.364 . . . . 74.24 111.984 -176.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 67' ' ' ARG . 52.5 Cg_exo -54.91 96.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.137 1.891 . . . . 54.14 112.08 172.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.688 ' HZ2' ' HB3' ' A' ' 69' ' ' LYS . 3.8 mmmp? -66.37 -29.65 69.87 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.974 0.416 . . . . 64.14 110.456 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 p -80.67 69.1 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.482 -0.933 . . . . 41.44 108.482 169.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.537 ' HG ' HG23 ' A' ' 66' ' ' ILE . 1.4 tt -63.57 103.7 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.026 -0.988 . . . . 53.43 111.273 -170.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 73' ' ' GLU . 99.1 mtt180 -81.59 145.07 30.82 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.744 -0.836 . . . . 54.12 108.744 171.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 24.6 tt0 75.9 136.77 0.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.992 0.807 . . . . 70.21 109.568 -170.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -153.31 104.34 2.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.351 0.596 . . . . 75.42 111.822 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.9 tp -92.71 -23.33 18.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.302 -0.863 . . . . 72.41 109.457 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 64.94 -179.44 0.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.204 -0.907 . . . . 72.54 110.98 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -135.09 106.4 6.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 75.32 110.625 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.63 63.62 3.7 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.0 -0.84 . . . . 74.32 111.0 176.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -74.53 -33.07 62.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.19 0.519 . . . . 65.34 110.238 -175.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.893 -0.948 . . . . 64.22 111.583 -179.62 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 112.35 -0.3 . . . . 54.31 112.35 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.87 97.66 0.57 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.676 2.25 . . . . 73.3 111.767 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.26 84.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 111.585 -0.606 . . . . 63.2 111.585 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 p -67.28 93.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.088 0.471 . . . . 75.22 111.147 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 10.4 tpt -88.32 166.39 14.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.858 -0.61 . . . . 70.25 110.084 176.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 5' ' ' MET . 75.4 mmtt 75.09 23.07 1.68 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.213 0.605 . . . . 73.43 110.901 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 pt -65.7 -18.43 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.872 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.2 mtp -73.83 123.3 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.848 -0.615 . . . . 64.41 110.051 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -73.92 -16.76 61.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.384 -0.371 . . . . 71.2 110.614 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.88 75.8 0.31 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.986 -0.552 . . . . 71.14 111.071 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HB3' ' HD2' ' A' ' 13' ' ' PHE . 33.7 m-80 -144.49 131.98 10.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 109.193 -0.669 . . . . 72.51 109.193 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -67.47 0.23 4.32 Favored 'Trans proline' 0 N--CA 1.476 0.474 0 C-N-CA 122.441 2.094 . . . . 75.11 112.263 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HD2' ' HB3' ' A' ' 11' ' ' ASN . 36.9 m-85 -86.02 -10.87 54.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.891 -0.595 . . . . 73.14 111.314 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -94.71 20.68 8.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.257 0.551 . . . . 64.53 110.027 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.87 172.63 1.63 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.446 -0.797 . . . . 73.4 110.595 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.12 -14.17 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 72.15 110.651 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -85.91 -22.88 27.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.772 -0.649 . . . . 74.54 111.475 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.9 155.97 45.29 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.962 -0.637 . . . . 55.12 112.202 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 50' ' ' ALA . 69.1 mmm -92.57 126.99 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.882 -0.785 . . . . 71.05 108.882 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.7 m-85 -131.37 153.45 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 110.092 -0.336 . . . . 71.52 110.092 -177.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -105.53 154.43 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.523 -0.308 . . . . 74.04 110.343 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 ' O ' HG21 ' A' ' 46' ' ' VAL . 48.3 t -107.45 123.7 62.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.787 -0.82 . . . . 75.34 108.787 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 45' ' ' VAL . 39.1 mt -100.33 172.56 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.337 -0.847 . . . . 73.02 110.288 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.534 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.3 tt -144.49 136.92 22.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 72.04 110.319 175.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 17.6 t30 -99.97 152.86 19.7 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.916 -1.142 . . . . 75.55 107.916 167.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -61.55 -4.26 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.997 0.74 . . . . 61.45 112.997 -166.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 43.3 mm-40 -90.74 24.57 2.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.45 -0.574 . . . . 73.21 109.45 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.526 ' HA ' HD13 ' A' ' 24' ' ' ILE . 5.3 mm-40 56.57 28.28 13.67 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.905 0.882 . . . . 74.33 111.578 -174.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.534 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 53.4 mt-30 -78.07 116.75 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.21 110.503 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -85.04 152.78 23.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 74.33 110.022 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -166.4 135.62 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.665 -0.495 . . . . 53.22 109.665 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 20' ' ' PHE . 38.9 tp -93.69 122.63 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 74.5 110.088 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -122.87 128.88 25.21 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.16 -0.473 . . . . 64.11 110.181 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 88.9 Cg_endo -79.43 155.58 24.9 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.735 2.29 . . . . 51.42 112.915 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -62.13 -20.57 64.21 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.656 -0.702 . . . . 75.53 111.389 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -78.07 -5.55 51.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 72.31 111.633 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.33 173.52 7.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 71.31 111.388 -176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -103.27 139.68 38.39 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.33 -0.396 . . . . 73.44 110.53 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.81 115.65 20.55 Favored Pre-proline 0 CA--C 1.535 0.368 0 O-C-N 123.47 0.481 . . . . 54.22 110.072 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.5 136.57 40.01 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.526 2.151 . . . . 75.04 112.362 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.42 128.32 33.76 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.641 -0.709 . . . . 52.4 110.78 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.75 -28.32 11.63 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.383 -0.687 . . . . 61.12 111.383 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -97.8 131.19 44.53 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.617 -0.512 . . . . 65.54 109.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -114.4 145.63 41.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.051 -0.351 . . . . 75.23 110.051 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.485 ' HA ' HD22 ' A' ' 23' ' ' LEU . 40.7 t -73.0 117.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 42.52 110.514 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -96.3 -35.54 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.255 0.55 . . . . 72.54 109.558 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.31 120.46 34.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.576 -0.898 . . . . 72.55 108.576 -176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.89 166.95 26.87 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.307 -0.473 . . . . 73.14 112.405 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.8 pt-20 -55.38 111.13 0.81 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.235 0.54 . . . . 70.24 110.337 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HA ' ' HE1' ' A' ' 19' ' ' MET . . . -142.44 167.04 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 71.22 111.034 -174.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -54.49 145.23 18.98 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.867 -0.606 . . . . 62.51 111.085 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' HG21 ' A' ' 56' ' ' VAL . 11.3 tpt180 -47.73 -44.02 27.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.4 -0.818 . . . . 62.34 111.892 -175.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 62.54 111.771 -174.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.0 m -63.43 -44.55 94.23 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.587 0.708 . . . . 73.43 109.999 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.43 ' HB3' HD12 ' A' ' 32' ' ' LEU . 28.7 m -59.22 -48.48 81.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.125 -0.943 . . . . 65.34 110.398 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -60.96 -40.9 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.128 -0.487 . . . . 64.2 110.131 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.07 -43.73 78.25 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.542 -0.753 . . . . 72.21 110.533 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.559 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 67.0 t80 -70.49 -53.15 17.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.453 -0.339 . . . . 75.13 111.447 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' CYS . 93.7 t -52.66 -32.76 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 120.878 0.371 . . . . 73.44 111.125 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.24 -50.95 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.833 -0.621 . . . . 75.12 110.959 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 58' ' ' TYR . 13.9 pt20 -74.51 -33.18 62.73 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.12 -0.491 . . . . 74.24 111.554 -173.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -81.95 13.21 3.45 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.06 0.457 . . . . 73.44 111.262 -175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 48.8 t90 -74.65 -23.74 58.72 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 122.149 -0.344 . . . . 75.22 111.403 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 p -95.27 11.42 32.58 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.893 0.701 . . . . 62.45 112.893 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -89.84 123.03 33.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.636 -0.505 . . . . 73.45 109.636 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.646 HG12 HD21 ' A' ' 71' ' ' LEU . 60.1 mt -133.35 128.6 55.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 111.839 0.311 . . . . 55.33 111.839 -172.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.727 ' H ' ' HD2' ' A' ' 68' ' ' PRO . 11.1 mmt180 -118.87 -57.31 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.213 -0.448 . . . . 74.24 110.978 171.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.727 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 19.3 Cg_endo -55.65 -71.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.497 0 C-N-CA 122.702 2.268 . . . . 54.14 113.818 -169.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -144.44 -83.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.249 -0.278 . . . . 64.14 110.249 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.2 m -156.3 132.22 9.76 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.959 -0.386 . . . . 41.44 109.959 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD21 HG12 ' A' ' 66' ' ' ILE . 3.9 mm? -96.13 109.63 22.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.451 -0.341 . . . . 53.43 110.593 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -126.63 130.33 50.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.093 -0.706 . . . . 54.12 109.093 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -151.01 162.94 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.143 -0.317 . . . . 70.21 110.143 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.74 ' HZ1' ' HB2' ' A' ' 74' ' ' LYS . 5.0 ttmp? -92.75 147.46 22.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 75.42 110.513 -176.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 75' ' ' LEU . 6.3 mp -78.26 134.88 37.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.466 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.93 118.48 27.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.393 . . . . 72.54 110.109 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 p -77.73 98.2 5.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 75.32 110.737 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.93 172.55 48.86 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.832 -0.622 . . . . 74.32 112.248 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -107.59 -4.0 18.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.185 0.517 . . . . 65.34 110.192 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.62 -1.1 . . . . 64.22 111.112 178.029 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 112.287 -0.325 . . . . 54.31 112.287 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.2 61.04 7.65 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.796 2.331 . . . . 73.3 112.604 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.68 79.68 0.1 OUTLIER Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.087 -0.506 . . . . 63.2 112.822 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.7 m -58.88 98.08 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.952 0.406 . . . . 75.22 110.676 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 49.8 ttm -76.14 -62.84 1.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.861 -0.609 . . . . 70.25 110.887 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.619 ' HZ3' ' HB3' ' A' ' 6' ' ' LYS . 6.0 ttpm? -166.17 154.55 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 73.43 109.676 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 tt -69.92 131.2 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 109.647 -0.501 . . . . 74.52 109.647 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.49 ' SD ' ' NZ ' ' A' ' 6' ' ' LYS . 95.0 mmm -120.72 145.83 47.09 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.083 -0.34 . . . . 64.41 110.083 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 m -60.19 -25.71 65.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 71.2 111.315 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -112.39 119.19 37.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 71.14 110.42 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -160.3 143.21 9.94 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 109.917 -0.401 . . . . 72.51 109.917 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.52 19.56 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.809 2.34 . . . . 75.11 113.197 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -101.9 -1.23 32.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.613 0.244 . . . . 73.14 111.07 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -106.4 -6.32 18.34 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.092 0.472 . . . . 64.53 110.522 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.69 151.75 46.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.383 0.611 . . . . 73.4 112.201 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 13.4 pt-20 -69.22 -18.16 63.86 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.979 -1.01 . . . . 72.15 112.79 -170.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -74.88 -22.76 58.47 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.92 0.341 . . . . 74.54 111.92 -172.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.21 150.57 21.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.865 -0.683 . . . . 55.12 112.835 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.8 mmm -95.83 127.33 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.482 -0.933 . . . . 71.05 108.482 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.468 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.5 m-85 -131.91 163.19 28.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.9 -0.408 . . . . 71.52 109.9 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.489 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.45 149.49 30.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.919 -0.4 . . . . 74.04 109.919 175.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' O ' HG22 ' A' ' 46' ' ' VAL . 97.0 t -99.73 127.46 52.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 109.516 -0.55 . . . . 75.34 109.516 -177.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -115.76 167.76 10.65 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.163 0.506 . . . . 73.02 110.631 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 28' ' ' GLU . 7.3 tt -145.94 148.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.419 -0.81 . . . . 72.04 109.676 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -103.78 152.24 22.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.027 -1.101 . . . . 75.55 108.027 169.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.484 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.0 t70 -54.18 -25.78 24.46 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.062 0.851 . . . . 61.45 112.157 -168.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.21 16.49 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.211 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' HD13 ' A' ' 24' ' ' ILE . 41.5 mt-10 61.78 34.71 17.11 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.844 0.857 . . . . 74.33 110.803 -177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.492 HE21 ' HH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -87.32 118.58 26.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.5 -0.773 . . . . 74.21 109.722 -179.479 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -84.97 138.9 32.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 74.33 111.355 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 p -149.97 175.41 11.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.39 -0.368 . . . . 53.22 110.875 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 21' ' ' PHE . 51.5 tp -141.26 132.26 26.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.474 -0.565 . . . . 74.5 109.474 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -127.65 134.43 26.18 Favored Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 122.865 0.103 . . . . 64.11 110.824 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -79.49 154.78 24.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.832 2.355 . . . . 51.42 112.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.0 p -62.34 -25.84 68.12 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.923 -0.58 . . . . 75.53 111.868 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.0 -9.8 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.832 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.26 150.37 48.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.665 0.269 . . . . 71.31 110.632 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.31 152.82 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.34 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.4 t -55.66 122.69 47.18 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 123.757 0.661 . . . . 54.22 110.897 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.62 123.87 9.8 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.52 2.147 . . . . 75.04 112.178 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.56 128.88 24.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.462 -0.79 . . . . 52.4 110.532 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.7 20.91 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.905 -0.588 . . . . 61.12 112.315 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.492 ' HH2' HE21 ' A' ' 29' ' ' GLN . 76.5 m95 -108.9 150.86 27.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.759 0.279 . . . . 65.54 110.321 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -121.32 139.78 52.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.823 -0.436 . . . . 75.23 109.823 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -83.61 113.74 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.704 0.288 . . . . 42.52 111.086 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -89.81 -34.13 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.374 0.607 . . . . 72.54 110.723 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.82 119.94 26.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 72.55 108.311 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.8 -176.52 2.36 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 121.262 -0.495 . . . . 73.14 112.303 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 131.04 44.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.421 0.629 . . . . 70.24 111.496 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.61 163.54 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.222 -0.899 . . . . 71.22 109.634 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 p -57.16 140.48 49.4 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.659 0.266 . . . . 62.51 110.523 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.6 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 3.7 tmt_? -47.49 -40.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.611 -0.722 . . . . 62.34 111.233 -175.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.77 79.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.76 -0.2 . . . . 62.54 111.059 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -60.96 -40.15 92.25 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.274 0.559 . . . . 73.43 109.768 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' ' 59' ' ' VAL . 41.3 m -58.15 -51.92 67.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.396 -0.82 . . . . 65.34 110.493 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.48 -37.3 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.858 -0.61 . . . . 64.2 110.842 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.06 -45.44 94.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 72.21 110.112 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -64.48 -50.52 67.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.593 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 55' ' ' CYS . 85.8 t -53.91 -48.5 62.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.408 -0.36 . . . . 73.44 110.577 177.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.53 -52.19 66.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.504 -0.771 . . . . 75.12 111.092 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -69.04 -24.34 64.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.29 -0.414 . . . . 74.24 111.012 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -94.56 13.98 22.35 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.651 -0.25 . . . . 73.44 111.389 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -56.99 -48.92 77.29 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 110.114 -0.328 . . . . 75.22 110.114 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.3 p 39.37 -92.22 0.01 OUTLIER 'General case' 0 C--O 1.238 0.5 0 O-C-N 124.4 1.062 . . . . 62.45 112.177 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -173.61 119.6 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.289 0.566 . . . . 73.45 110.129 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.778 HG22 ' HD2' ' A' ' 68' ' ' PRO . 53.9 mt -84.19 136.15 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.599 -0.728 . . . . 55.33 109.632 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -60.99 -50.65 83.86 Favored Pre-proline 0 N--CA 1.47 0.573 0 N-CA-C 112.058 0.392 . . . . 74.24 112.058 -175.322 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.778 ' HD2' HG22 ' A' ' 66' ' ' ILE . 73.5 Cg_exo -52.22 112.78 0.95 Allowed 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.142 1.228 . . . . 54.14 110.772 166.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -56.99 -24.24 51.96 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.998 -0.547 . . . . 64.14 111.449 -171.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t 62.41 21.73 12.76 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.161 0.505 . . . . 41.44 110.685 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.1 tp -73.8 144.75 45.44 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.813 -0.63 . . . . 53.43 110.611 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.594 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.1 tpm_? -144.3 159.44 42.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.595 -0.52 . . . . 54.12 109.595 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.64 86.72 0.08 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.087 0.47 . . . . 70.21 110.558 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -167.13 105.99 0.58 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.511 -0.768 . . . . 75.42 108.946 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.5 tp -75.19 142.36 43.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.086 0.47 . . . . 72.41 111.23 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.74 156.83 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.698 -0.683 . . . . 72.54 109.601 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.4 t -141.22 -44.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.601 -0.272 . . . . 75.32 110.875 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 66.42 52.62 34.02 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.162 -0.775 . . . . 74.32 111.162 -176.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.03 149.47 30.7 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.844 0.354 . . . . 65.34 111.042 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.872 -0.96 . . . . 64.22 111.243 178.733 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.479 -0.649 . . . . 54.31 111.479 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -47.6 97.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 123.079 2.519 . . . . 73.3 112.613 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.4 178.46 36.28 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.432 -0.667 . . . . 63.2 111.432 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t 63.37 13.27 6.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.33 0.586 . . . . 75.22 110.865 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 49.8 ttp -91.71 40.89 1.05 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.592 0.711 . . . . 70.25 109.265 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -72.66 79.29 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.607 -0.724 . . . . 73.43 110.434 -177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -91.55 94.01 4.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.794 -0.639 . . . . 74.52 109.685 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.1 mtt -81.35 49.9 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 64.41 109.984 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.2 m 72.97 -40.13 0.47 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.386 0.674 . . . . 71.2 110.7 -172.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 4.8 m-20 -61.11 114.14 2.96 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.732 -0.47 . . . . 71.14 109.732 171.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -104.13 94.89 7.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.648 -0.501 . . . . 72.51 109.648 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 23.7 Cg_exo -62.83 -31.15 78.1 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.52 2.147 . . . . 75.11 112.172 -175.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.402 ' CD1' ' HG3' ' A' ' 34' ' ' PRO . 23.5 m-85 -89.49 5.2 46.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.665 -0.698 . . . . 73.14 110.684 -175.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -107.24 -11.42 15.59 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.898 -0.592 . . . . 64.53 110.054 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.13 144.43 55.37 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.907 -0.588 . . . . 73.4 109.986 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.641 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 14.8 pt-20 -84.21 -21.39 31.23 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.739 0.644 . . . . 72.15 112.739 -170.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.75 -23.01 39.71 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.567 0.223 . . . . 74.54 111.58 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.35 136.49 20.33 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.56 -0.829 . . . . 55.12 111.344 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mmm -87.81 127.08 35.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.256 -0.646 . . . . 71.05 109.256 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.3 153.7 47.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.557 -0.535 . . . . 71.52 109.557 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.59 153.77 24.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.883 0.373 . . . . 74.04 110.851 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.526 ' O ' HG21 ' A' ' 46' ' ' VAL . 58.6 t -105.7 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.891 -0.781 . . . . 75.34 108.891 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 45' ' ' VAL . 45.7 mt -112.29 174.12 6.04 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.975 0.797 . . . . 73.02 110.498 -175.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.556 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.7 tt -151.51 145.26 16.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.33 -0.395 . . . . 72.04 110.754 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 27.8 t-20 -106.8 158.88 16.65 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.265 -0.425 . . . . 75.55 109.88 174.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 m-20 -38.62 -44.87 1.02 Allowed 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.862 1.351 . . . . 61.45 112.858 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 23.6 mm-40 -75.58 26.2 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 73.21 111.03 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HA ' HD11 ' A' ' 24' ' ' ILE . 44.5 mt-10 52.26 44.51 29.69 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.714 0.769 . . . . 74.33 109.973 -177.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 99.4 mt-30 -91.61 115.62 28.2 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.037 -0.983 . . . . 74.21 109.165 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -88.48 149.53 23.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 74.33 110.596 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -159.46 169.71 23.31 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.608 -0.516 . . . . 53.22 109.608 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.69 132.21 48.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.483 -0.562 . . . . 74.5 109.483 -176.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -135.53 128.4 18.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 64.11 110.055 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 91.4 Cg_endo -83.22 155.9 14.68 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.702 2.268 . . . . 51.42 112.628 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 p -59.84 -24.88 64.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.873 -0.603 . . . . 75.53 111.445 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -70.34 -8.96 54.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.519 -0.764 . . . . 72.31 111.292 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.51 156.65 38.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.67 0.271 . . . . 71.31 110.411 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.27 136.14 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 73.44 110.478 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -55.28 116.96 12.9 Favored Pre-proline 0 CA--C 1.536 0.427 0 O-C-N 123.368 0.417 . . . . 54.22 110.947 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 131.02 16.96 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.626 2.217 . . . . 75.04 112.727 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.87 128.32 34.5 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.993 -0.549 . . . . 52.4 110.218 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.45 -17.94 30.58 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.65 -0.58 . . . . 61.12 111.65 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -115.34 101.47 8.95 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.423 -0.584 . . . . 65.54 109.423 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -84.29 148.46 26.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.293 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.455 ' HA ' HD22 ' A' ' 23' ' ' LEU . 39.4 t -76.72 131.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 42.52 110.808 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -114.49 -29.72 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.06 0.457 . . . . 72.54 110.304 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.1 t80 -135.72 116.09 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.839 -0.8 . . . . 72.55 108.839 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.33 172.72 9.16 Favored Glycine 0 CA--C 1.52 0.385 0 O-C-N 123.366 0.416 . . . . 73.14 112.788 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.21 117.39 3.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.29 0.567 . . . . 70.24 111.32 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.32 166.16 25.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.444 -0.798 . . . . 71.22 110.237 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -54.91 146.37 17.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.809 0.338 . . . . 62.51 111.085 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.641 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 20.5 tpt180 -47.39 -49.04 25.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.584 -0.734 . . . . 62.34 111.734 -176.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.8 75.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.533 -0.303 . . . . 62.54 111.599 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -66.16 -42.61 88.77 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.201 0.524 . . . . 73.43 110.445 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.1 m -64.73 -44.22 90.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 65.34 110.255 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 52' ' ' ARG . 85.9 t -63.42 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.09 0 CA-C-N 116.009 -0.542 . . . . 64.2 110.302 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -57.0 -49.47 75.67 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.78 -0.645 . . . . 72.21 110.149 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -62.4 -53.55 53.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.286 -0.87 . . . . 75.13 110.646 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.9 -38.21 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.242 -0.435 . . . . 73.44 111.429 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.25 -50.8 64.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.126 0.489 . . . . 75.12 110.747 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -65.38 -12.13 49.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 74.24 110.404 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.491 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 2.8 m-70 -93.01 13.24 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.846 -0.615 . . . . 73.44 111.653 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -55.31 -35.97 65.7 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.72 0.295 . . . . 75.22 110.965 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 p -84.31 -8.28 59.06 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.139 0.495 . . . . 62.45 111.335 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.491 ' HB3' ' O ' ' A' ' 62' ' ' HIS . 8.3 t70 -77.68 80.43 4.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.594 . . . . 73.45 110.42 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 53.5 mt -148.8 121.03 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 115.253 -0.885 . . . . 55.33 109.321 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.626 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -74.06 -56.92 2.5 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 111.399 0.148 . . . . 74.24 111.399 -179.151 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 35.6 Cg_endo -91.1 -163.77 0.13 Allowed 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.197 1.931 . . . . 54.14 112.281 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 51.74 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.683 -0.858 . . . . 64.14 108.683 174.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.61 ' HB2' ' HG2' ' A' ' 68' ' ' PRO . 20.7 t -76.87 -63.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.431 -0.804 . . . . 41.44 111.139 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.42 HD13 ' H ' ' A' ' 73' ' ' GLU . 2.0 tm? -74.95 95.32 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.514 -0.55 . . . . 53.43 109.514 -175.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -110.1 19.47 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.414 -0.812 . . . . 54.12 110.413 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' H ' HD13 ' A' ' 71' ' ' LEU . 32.1 mt-10 -98.1 -86.28 0.35 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.609 -0.723 . . . . 70.21 110.135 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 16.1 pttm 57.73 148.64 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.566 1.146 . . . . 75.42 112.429 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -114.19 133.48 55.57 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.58 -0.896 . . . . 72.41 108.58 172.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 77' ' ' SER . . . -65.25 82.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.278 0.361 . . . . 72.54 110.556 -178.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 22.7 t 169.0 -32.61 0.0 OUTLIER 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.402 -0.817 . . . . 75.32 109.233 -177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.88 -99.39 2.21 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.744 -0.662 . . . . 74.32 111.462 -176.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -81.83 87.15 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 65.34 110.415 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.266 0 CA-C-O 118.95 -0.917 . . . . 64.22 112.135 -178.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 112.216 -0.354 . . . . 54.31 112.216 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 25.3 Cg_exo -63.1 113.77 2.17 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.615 2.21 . . . . 73.3 111.951 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.16 130.08 1.08 Allowed Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.732 -0.547 . . . . 63.2 111.732 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -70.15 -23.76 63.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.265 0.555 . . . . 75.22 110.408 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.547 ' SD ' ' N ' ' A' ' 5' ' ' MET . 0.0 OUTLIER -113.16 132.38 55.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.491 -0.777 . . . . 70.25 109.776 178.316 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -65.9 -40.72 91.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.255 0.55 . . . . 73.43 110.144 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 tt -99.77 130.67 48.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 74.52 109.663 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -62.62 95.84 0.08 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.074 0.464 . . . . 64.41 110.325 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 p -67.45 165.1 17.35 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.391 -0.822 . . . . 71.2 110.707 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -62.1 132.05 51.55 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.644 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.57 HD21 ' N ' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -81.86 156.32 70.07 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 72.51 110.352 -174.421 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.21 -12.73 36.19 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.821 2.348 . . . . 75.11 113.163 -176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -100.54 6.45 44.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.565 0.221 . . . . 73.14 111.255 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -94.95 2.31 55.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.784 0.326 . . . . 64.53 110.41 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -92.52 -176.12 4.2 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.486 0.66 . . . . 73.4 112.319 -172.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -117.98 -22.75 7.73 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.077 -0.965 . . . . 72.15 110.793 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.16 -20.62 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 74.54 110.588 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.28 155.97 48.7 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.866 -0.607 . . . . 55.12 111.771 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.6 mtp -97.45 127.73 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.733 -0.469 . . . . 71.05 109.733 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.17 159.45 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -109.02 149.78 28.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.396 0.141 . . . . 74.04 110.674 178.73 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 46' ' ' VAL . 60.5 t -99.52 125.58 53.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 109.752 -0.462 . . . . 75.34 109.752 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.94 170.79 7.84 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.996 0.81 . . . . 73.02 110.466 -176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.531 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.2 tt -153.61 154.92 6.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-N 116.046 -0.525 . . . . 72.04 110.587 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' HB3' ' HB3' ' A' ' 29' ' ' GLN . 56.7 t30 -127.41 156.22 42.41 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.771 -0.826 . . . . 75.55 108.771 171.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 28' ' ' GLU . 16.7 t70 -45.52 -28.33 0.91 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.53 0.937 . . . . 61.45 113.53 -166.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 14.2 mp0 -78.01 27.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.272 -0.268 . . . . 73.21 110.661 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.773 ' HG2' ' HB2' ' A' ' 67' ' ' ARG . 34.9 mm-40 47.98 28.61 1.48 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.469 0.652 . . . . 74.33 110.577 -169.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.531 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 60.1 tp60 -70.44 115.67 9.89 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.235 -0.893 . . . . 74.21 108.672 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -98.2 133.86 42.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.317 . . . . 74.33 110.863 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.3 t -141.22 163.93 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.384 -0.599 . . . . 53.22 109.384 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.89 115.37 12.71 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.288 -0.634 . . . . 74.5 109.288 -178.386 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -113.8 133.83 22.19 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.405 -0.118 . . . . 64.11 110.711 -174.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.7 155.54 24.04 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.857 2.372 . . . . 51.42 112.785 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 p -61.83 -24.75 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 75.53 111.468 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -78.31 4.52 12.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 72.31 111.877 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.02 153.64 46.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.119 -0.326 . . . . 71.31 110.119 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.18 152.57 21.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.911 0.386 . . . . 73.44 111.354 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.35 124.79 79.75 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.273 -0.876 . . . . 54.22 111.695 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.44 123.93 11.42 Favored 'Trans proline' 0 C--O 1.243 0.737 0 C-N-CA 122.607 2.205 . . . . 75.04 111.783 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.43 128.24 22.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.326 -0.852 . . . . 52.4 111.312 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.89 -28.09 11.88 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.78 -0.646 . . . . 61.12 111.678 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -94.65 131.3 40.58 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.845 -0.428 . . . . 65.54 109.845 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -104.19 136.54 43.6 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 110.073 -0.343 . . . . 75.23 110.073 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.3 125.18 38.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.312 -0.404 . . . . 42.52 110.398 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -100.29 -36.93 5.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.273 0.558 . . . . 72.54 110.528 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -123.47 121.99 37.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.628 -0.879 . . . . 72.55 108.628 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.29 178.6 6.34 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 121.051 -0.595 . . . . 73.14 112.413 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.34 120.09 6.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.564 0.697 . . . . 70.24 110.86 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.37 166.49 24.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 71.22 109.734 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.37 141.05 58.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.569 . . . . 62.51 109.462 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.4 tmt_? -47.87 -39.21 18.11 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.428 0.455 . . . . 62.34 111.307 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.97 91.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.482 -0.326 . . . . 62.54 111.363 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -69.87 -40.42 75.75 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.627 0.727 . . . . 73.43 109.404 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 m -57.56 -51.07 70.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.121 -0.945 . . . . 65.34 110.016 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.4 t -63.63 -34.58 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 CA-C-N 115.844 -0.616 . . . . 64.2 110.388 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.42 -44.32 84.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.118 -0.492 . . . . 72.21 109.782 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -68.52 -54.56 15.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.271 -0.422 . . . . 75.13 110.92 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.8 t -52.86 -38.06 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.851 -177.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.62 -44.16 96.66 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.925 0.393 . . . . 75.12 110.243 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -64.29 -47.61 78.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.821 -0.627 . . . . 74.24 110.402 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -80.41 0.35 33.66 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.628 -0.715 . . . . 73.44 110.877 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -71.22 -24.7 62.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 75.22 110.403 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 m -77.65 -7.93 57.15 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.048 -0.524 . . . . 62.45 111.103 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.07 103.04 11.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.043 0.449 . . . . 73.45 111.157 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.6 mt -107.64 109.81 29.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.746 -0.661 . . . . 55.33 109.425 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.773 ' HB2' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -90.68 -49.06 0.36 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.282 -178.236 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 56.0 Cg_endo -69.87 103.52 1.19 Allowed 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.618 1.546 . . . . 54.14 111.795 179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -73.32 82.03 1.38 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.326 0.584 . . . . 64.14 110.47 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 t -167.95 52.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.087 -1.079 . . . . 41.44 108.087 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.25 92.98 0.43 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.111 -0.95 . . . . 53.43 111.096 -172.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -67.06 -55.48 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.947 -0.569 . . . . 54.12 109.551 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.03 93.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.644 -0.707 . . . . 70.21 109.3 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.488 ' HB2' ' HZ2' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -66.56 137.13 56.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.07 -0.514 . . . . 75.42 111.129 -171.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.485 ' H ' HD21 ' A' ' 75' ' ' LEU . 2.5 pt? -76.07 158.6 31.65 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.991 -0.549 . . . . 72.41 110.502 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.81 131.39 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 72.54 110.472 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -77.21 81.9 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.543 . . . . 75.32 109.902 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.06 150.85 12.1 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.685 -0.689 . . . . 74.32 111.826 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -151.82 -52.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.689 -0.486 . . . . 65.34 109.689 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.585 -1.119 . . . . 64.22 111.316 -179.688 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.88 -0.488 . . . . 54.31 111.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.77 91.85 0.8 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.67 2.247 . . . . 73.3 113.045 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.69 74.04 0.86 Allowed Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.992 -0.549 . . . . 63.2 113.304 172.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 67.26 -4.18 0.9 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.447 0.536 . . . . 75.22 112.447 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 97.5 mmm -94.86 115.93 28.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 70.25 110.205 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -143.7 122.09 12.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 73.43 109.68 177.597 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -90.91 82.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.288 0.566 . . . . 74.52 109.796 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.7 mtp -107.75 5.05 26.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.709 -0.678 . . . . 64.41 110.445 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -99.53 165.39 11.66 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.045 -0.525 . . . . 71.2 110.43 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.98 78.65 4.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.711 -0.478 . . . . 71.14 109.711 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -142.08 70.52 23.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.312 -0.404 . . . . 72.51 111.078 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.36 -52.0 0.66 Allowed 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.373 2.049 . . . . 75.11 111.04 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -118.61 -3.05 10.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.439 -0.801 . . . . 73.14 110.318 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.28 -8.52 59.64 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.938 -0.574 . . . . 64.53 111.86 -173.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.36 169.89 16.2 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.442 -0.345 . . . . 73.4 110.663 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -110.22 -35.07 6.19 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.872 0.368 . . . . 72.15 111.348 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -81.58 -22.98 37.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.94 -0.573 . . . . 74.54 110.801 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.59 142.43 47.83 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.629 -0.796 . . . . 55.12 111.414 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.1 mmm -88.91 127.25 35.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 71.05 109.437 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.472 ' HB2' HD12 ' A' ' 32' ' ' LEU . 4.0 m-85 -129.89 149.83 51.45 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.13 146.86 30.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.622 0.249 . . . . 74.04 111.131 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.441 HG23 HD13 ' A' ' 32' ' ' LEU . 61.2 t -98.02 125.72 51.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 109.189 -0.671 . . . . 75.34 109.189 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.4 mt -108.49 169.35 8.7 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.854 0.721 . . . . 73.02 110.241 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.1 tt -148.19 150.97 13.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.076 0.465 . . . . 72.04 111.271 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.502 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 56.4 t30 -119.71 153.94 34.87 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.333 -0.988 . . . . 75.55 108.333 168.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 28' ' ' GLU . 33.2 m-20 -53.17 -23.42 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.231 0.826 . . . . 61.45 113.231 -166.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 1.5 mp0 -75.56 19.96 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.76 0.314 . . . . 73.21 110.851 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.515 ' HA ' HD12 ' A' ' 24' ' ' ILE . 30.3 mt-10 59.48 26.55 15.53 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.406 0.682 . . . . 74.33 110.505 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.59 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 97.6 mt-30 -76.57 115.93 16.78 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.17 -1.048 . . . . 74.21 108.17 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -123.68 143.16 50.43 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.185 -0.302 . . . . 74.33 110.185 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.4 t -163.04 172.94 14.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.771 -0.826 . . . . 53.22 108.771 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 20' ' ' PHE . 40.8 tp -118.59 133.83 55.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.044 -0.525 . . . . 74.5 110.216 -174.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -129.16 130.6 23.39 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.118 -0.492 . . . . 64.11 110.041 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.81 154.1 19.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.609 2.206 . . . . 51.42 112.979 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 p -63.62 -20.11 65.41 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.76 -0.655 . . . . 75.53 111.585 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -76.44 -2.32 31.47 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.134 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.65 161.8 26.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.621 -0.263 . . . . 71.31 110.538 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -96.14 152.6 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.331 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -76.5 124.68 87.97 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.001 -0.545 . . . . 54.22 110.921 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.03 126.45 15.2 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.606 2.204 . . . . 75.04 111.934 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.02 128.49 37.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.753 -0.658 . . . . 52.4 110.633 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 -27.99 11.44 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.534 -0.626 . . . . 61.12 111.534 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -93.85 129.52 40.23 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.424 -0.584 . . . . 65.54 109.424 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -107.71 141.77 38.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 75.23 110.596 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' HA ' HD23 ' A' ' 23' ' ' LEU . 26.7 t -74.11 115.19 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.824 -0.625 . . . . 42.52 110.294 -178.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -88.38 -35.4 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.214 0.53 . . . . 72.54 109.645 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -132.7 123.54 26.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.306 -0.861 . . . . 72.55 109.194 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.81 175.52 7.68 Favored Glycine 0 C--N 1.333 0.396 0 O-C-N 123.663 0.602 . . . . 73.14 112.599 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.29 111.99 1.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.102 0.477 . . . . 70.24 110.858 -178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.34 165.56 25.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.801 -0.636 . . . . 71.22 110.382 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.8 t -59.28 154.52 16.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 62.51 111.052 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.498 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.3 tpt180 -47.47 -48.5 26.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.505 -0.77 . . . . 62.34 111.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.1 82.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.433 -0.349 . . . . 62.54 111.69 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -60.86 -45.59 93.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.131 0.491 . . . . 73.43 110.635 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.0 m -62.85 -42.97 99.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 65.34 110.832 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 52' ' ' ARG . 73.3 t -62.6 -43.75 98.77 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.038 0 CA-C-N 116.342 -0.39 . . . . 64.2 110.324 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.38 -46.73 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.819 -0.628 . . . . 72.21 110.31 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -62.35 -54.96 32.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.504 -0.771 . . . . 75.13 110.474 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.0 t -55.8 -40.48 61.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 115.94 -0.573 . . . . 73.44 111.491 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.77 -42.39 97.4 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.317 -175.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.472 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 14.3 mm-40 -76.6 -27.67 55.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.45 -177.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -94.23 13.28 23.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 73.44 109.96 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -75.79 13.3 0.85 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.043 -0.526 . . . . 75.22 111.097 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.3 p -55.17 168.67 0.31 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.332 -0.394 . . . . 62.45 111.236 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -52.75 126.56 20.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.337 0.589 . . . . 73.45 110.821 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.817 HG23 ' HD2' ' A' ' 68' ' ' PRO . 3.0 mp -97.91 157.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.665 -0.698 . . . . 55.33 109.207 -175.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -77.21 -53.49 1.66 Allowed Pre-proline 0 CA--C 1.54 0.592 0 CA-C-O 119.534 -0.269 . . . . 74.24 111.479 -173.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.817 ' HD2' HG23 ' A' ' 66' ' ' ILE . 38.7 Cg_endo -66.77 144.76 72.75 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 121.976 1.784 . . . . 54.14 111.839 174.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HE2' HD12 ' A' ' 71' ' ' LEU . 22.4 tptm -102.03 22.6 12.84 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.16 0.505 . . . . 64.14 110.792 -176.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 p -71.51 83.12 0.82 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.277 0.561 . . . . 41.44 110.665 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.446 HD12 ' HE2' ' A' ' 69' ' ' LYS . 86.3 mt -71.41 90.77 0.98 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.591 -0.731 . . . . 53.43 110.476 -178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -90.99 139.68 30.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.707 -0.679 . . . . 54.12 109.979 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -83.88 134.74 34.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 70.21 111.813 -171.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -175.05 -32.97 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.395 -0.821 . . . . 75.42 109.911 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.7 mt -65.06 -14.52 60.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.59 -0.732 . . . . 72.41 110.97 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.99 87.52 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.548 -0.751 . . . . 72.54 111.911 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.6 m 75.22 -51.65 0.66 Allowed 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.403 0.89 . . . . 75.32 113.403 168.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.38 -36.62 63.57 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.768 -0.253 . . . . 74.32 113.502 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -128.42 105.58 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.781 -0.451 . . . . 65.34 109.781 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.139 0 CA-C-O 118.903 -0.943 . . . . 64.22 111.218 -177.222 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.874 -0.49 . . . . 54.31 111.874 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -93.78 -158.44 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.365 2.71 . . . . 73.3 112.172 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.87 138.77 6.54 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 111.697 -0.561 . . . . 63.2 111.697 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.416 ' OG ' ' HE3' ' A' ' 6' ' ' LYS . 5.9 p -100.49 170.13 8.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.719 0.295 . . . . 75.22 110.712 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.7 mtt -71.04 82.56 0.68 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.088 0.47 . . . . 70.25 110.54 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HE3' ' OG ' ' A' ' 4' ' ' SER . 34.6 mmtp -96.74 130.31 44.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.808 -0.633 . . . . 73.43 109.882 176.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -74.85 146.15 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.333 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.8 ptp -51.11 110.79 0.47 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.17 0.509 . . . . 64.41 110.106 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -163.47 -173.16 3.21 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.643 -0.708 . . . . 71.2 109.783 -174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.78 118.01 8.35 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.392 -0.367 . . . . 71.14 110.217 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -138.75 134.35 17.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.777 -0.453 . . . . 72.51 109.777 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.79 -26.93 59.87 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.802 2.335 . . . . 75.11 112.953 -175.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -80.75 8.89 7.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.963 0.357 . . . . 73.14 111.963 -176.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.54 12.89 19.99 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.466 0.651 . . . . 64.53 109.676 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.12 137.94 58.22 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.885 -0.598 . . . . 73.4 111.216 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -57.12 -31.42 65.3 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.85 0.685 . . . . 72.15 112.85 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -81.57 -11.82 59.0 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.425 0.155 . . . . 74.54 111.372 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.98 128.1 9.32 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.684 -0.769 . . . . 55.12 111.776 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 83.1 mtp -72.81 127.6 33.02 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.348 -0.612 . . . . 71.05 109.348 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.537 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 9.4 m-85 -128.7 161.89 28.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.463 -0.569 . . . . 71.52 109.463 -178.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.55 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.6 150.82 28.42 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.44 -0.207 . . . . 74.04 110.44 177.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.462 ' O ' HG21 ' A' ' 46' ' ' VAL . 60.4 t -99.3 126.01 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 108.752 -0.833 . . . . 75.34 108.752 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.75 170.24 8.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.107 0.48 . . . . 73.02 111.004 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.5 tt -143.89 136.57 23.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.364 -0.834 . . . . 72.04 110.002 173.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.3 t30 -94.42 153.58 17.88 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.649 -0.871 . . . . 75.55 108.649 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 28' ' ' GLU . 6.5 m-20 -63.85 -9.24 13.92 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.919 0.762 . . . . 61.45 111.314 -171.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 47.1 mt-10 -80.72 18.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 73.21 109.556 169.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 67' ' ' ARG . 57.0 mt-10 59.82 31.16 20.64 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.544 0.738 . . . . 74.33 110.052 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.567 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 96.6 mt-30 -92.17 116.22 28.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.545 -0.752 . . . . 74.21 110.008 -176.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -96.49 136.94 36.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.465 . . . . 74.33 109.743 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -157.63 -177.83 6.88 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.827 0.346 . . . . 53.22 110.255 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 21' ' ' PHE . 58.3 tp -134.31 125.24 27.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 74.5 109.882 -174.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -119.15 136.38 24.39 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 110.355 -0.239 . . . . 64.11 110.355 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.537 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 97.1 Cg_endo -79.21 154.22 24.95 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.788 2.326 . . . . 51.42 113.478 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -61.71 -31.87 72.05 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.356 -0.838 . . . . 75.53 111.121 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.96 -14.73 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.436 -0.802 . . . . 72.31 111.948 -175.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.03 157.76 26.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.72 0.295 . . . . 71.31 111.002 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.97 148.8 25.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.863 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.45 124.13 81.52 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.872 -0.604 . . . . 54.22 111.132 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HG2' ' HB2' ' A' ' 43' ' ' TRP . 58.0 Cg_endo -72.93 132.01 17.75 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.574 2.183 . . . . 75.04 112.199 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.79 128.19 31.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.96 -0.564 . . . . 52.4 110.992 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.31 -27.99 15.16 Favored Glycine 0 N--CA 1.453 -0.18 0 N-CA-C 111.54 -0.624 . . . . 61.12 111.54 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 74.9 m95 -96.74 114.13 25.75 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.834 -0.432 . . . . 65.54 109.834 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -99.28 138.21 36.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.175 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.8 t -73.79 125.32 32.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-N 116.29 -0.414 . . . . 42.52 110.705 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -103.12 -31.85 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.148 0.499 . . . . 72.54 110.197 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -129.47 124.08 33.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.154 -1.054 . . . . 72.55 108.154 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.35 -172.55 8.87 Favored Glycine 0 CA--C 1.518 0.252 0 O-C-N 123.526 0.516 . . . . 73.14 113.107 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -54.94 113.13 1.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.184 -0.302 . . . . 70.24 110.184 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.15 165.43 27.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 71.22 110.744 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 p -66.03 150.51 48.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.831 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 56' ' ' VAL . 13.8 tpt180 -47.66 -49.84 26.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.165 -0.47 . . . . 62.34 111.592 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.6 73.07 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.827 0.346 . . . . 62.54 111.632 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -59.96 -49.76 76.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.587 0.708 . . . . 73.43 110.33 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' HB3' HD12 ' A' ' 32' ' ' LEU . 34.9 m -57.76 -45.56 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.816 -1.084 . . . . 65.34 110.466 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 52' ' ' ARG . 72.1 t -59.26 -47.95 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.461 -0.791 . . . . 64.2 110.763 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.56 -46.67 88.23 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.349 -0.387 . . . . 72.21 110.788 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.15 -55.8 30.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.769 0.319 . . . . 75.13 110.39 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.14 -44.85 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.095 -0.502 . . . . 73.44 111.187 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 32.0 t70 -54.02 -34.68 60.61 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.144 0.497 . . . . 75.12 111.628 -175.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -80.06 -36.02 36.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.909 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -95.3 13.58 25.17 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.391 1.256 . . . . 73.44 114.391 -169.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.472 ' CD1' ' HA ' ' A' ' 60' ' ' ASP . 83.7 m95 -58.02 -20.61 40.02 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 118.132 0.424 . . . . 75.22 111.796 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -36.86 -71.02 0.08 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.196 1.184 . . . . 62.45 114.196 -175.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' H ' HG22 ' A' ' 64' ' ' THR . 27.0 m-20 -93.44 126.53 38.63 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.328 0.492 . . . . 73.45 112.328 -167.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.0 mt -148.22 100.6 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 107.707 -1.22 . . . . 55.33 107.707 171.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.639 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 12.5 tpp180 -55.52 -53.78 58.55 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.646 0.61 . . . . 74.24 112.646 -168.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.639 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 75.0 Cg_exo -52.43 -28.01 33.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 122.324 2.016 . . . . 54.14 112.916 176.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? 64.13 103.43 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.303 -0.628 . . . . 64.14 109.303 -175.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 t -138.8 -164.53 1.66 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.321 -0.399 . . . . 41.44 110.411 -174.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.573 HD21 ' H ' ' A' ' 71' ' ' LEU . 2.2 pt? -131.44 154.68 48.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.425 -0.352 . . . . 53.43 110.244 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 11.9 tpt180 -168.88 171.35 8.49 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.885 -0.783 . . . . 54.12 108.885 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 1.5 mp0 -54.73 106.84 0.24 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.63 -0.507 . . . . 70.21 109.63 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.612 ' HZ2' ' HB2' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -70.06 104.78 2.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.091 -0.504 . . . . 75.42 110.203 -178.721 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.4 tp -83.71 144.14 29.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.458 -0.792 . . . . 72.41 110.214 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.78 22.53 3.1 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.442 -0.345 . . . . 72.54 110.792 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t 61.18 98.29 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.724 -0.671 . . . . 75.32 110.27 -173.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.47 65.06 3.15 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 116.156 -0.475 . . . . 74.32 112.321 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -125.39 125.22 43.05 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.672 0.389 . . . . 65.34 110.255 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.865 -0.964 . . . . 64.22 111.477 179.189 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.85 0 N-CA-C 112.394 -0.283 . . . . 54.31 112.394 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -87.49 12.78 2.82 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.338 2.692 . . . . 73.3 112.579 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.02 -142.76 9.39 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.642 -0.583 . . . . 63.2 111.642 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -133.26 159.85 39.0 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 122.34 0.256 . . . . 75.22 110.447 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.4 mmt -88.87 129.67 35.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 70.25 110.159 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.53 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -157.05 154.47 29.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.389 -0.369 . . . . 73.43 110.368 179.494 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -86.42 107.08 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 74.52 109.976 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.5 ttt -155.6 155.08 32.68 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.491 -0.559 . . . . 64.41 109.491 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -69.46 151.22 46.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.782 0.325 . . . . 71.2 110.867 -177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.61 -48.89 73.21 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.866 -0.607 . . . . 71.14 110.523 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -124.64 86.38 55.68 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.697 -0.683 . . . . 72.51 110.67 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -96.46 0.4 1.96 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.077 2.518 . . . . 75.11 112.682 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -118.42 14.89 13.81 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.556 -0.293 . . . . 73.14 111.391 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -97.29 12.16 33.97 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.6 0.238 . . . . 64.53 111.626 -173.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.436 ' HB3' ' OD1' ' A' ' 17' ' ' ASP . 25.0 m-20 -80.32 132.18 35.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.519 0.199 . . . . 73.4 110.629 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.23 -26.23 67.27 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.354 -0.385 . . . . 72.15 111.744 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 15' ' ' ASP . 7.0 p-10 -71.47 -20.35 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.401 . . . . 74.54 110.64 -178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.56 125.62 10.45 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.299 -0.72 . . . . 55.12 111.299 176.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.0 mtp -78.27 128.23 33.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 71.05 109.68 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -124.58 161.9 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.789 -0.449 . . . . 71.52 109.789 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.433 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -114.94 149.67 36.92 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.218 -0.29 . . . . 74.04 110.218 176.146 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 46' ' ' VAL . 61.9 t -101.67 131.49 49.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.424 -0.584 . . . . 75.34 109.424 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 23' ' ' LEU . 5.0 mp -118.02 165.57 13.58 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.444 0.465 . . . . 73.02 110.791 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.4 tt -142.7 153.16 17.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.794 -0.639 . . . . 72.04 110.043 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.38 147.7 48.05 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.368 -0.975 . . . . 75.55 108.368 172.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.73 -32.5 0.6 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.832 1.049 . . . . 61.45 113.832 -167.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 69' ' ' LYS . 1.6 pm0 -79.79 34.38 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.794 0.33 . . . . 73.21 111.129 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 53.92 28.27 8.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.807 -0.633 . . . . 74.33 112.108 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.5 mt-30 -83.78 115.97 22.48 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.156 -0.683 . . . . 74.21 109.156 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -109.16 137.33 47.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.085 -0.507 . . . . 74.33 109.792 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 t -146.07 -178.32 6.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.112 -0.494 . . . . 53.22 109.689 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -142.29 115.26 8.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.37 -0.604 . . . . 74.5 109.37 -174.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -113.91 134.64 22.08 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.467 -0.333 . . . . 64.11 110.153 -173.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.03 153.24 25.0 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.602 2.202 . . . . 51.42 112.733 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -61.45 -21.75 64.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.527 -0.761 . . . . 75.53 111.166 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.39 1.54 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 72.31 111.025 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.21 155.74 48.78 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.391 -0.368 . . . . 71.31 110.217 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -92.42 149.78 21.2 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.774 0.321 . . . . 73.44 110.604 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.78 129.3 92.92 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.679 -0.691 . . . . 54.22 111.926 -173.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.15 129.31 18.02 Favored 'Trans proline' 0 C--O 1.243 0.748 0 C-N-CA 122.772 2.315 . . . . 75.04 112.028 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.04 128.09 20.65 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.619 -0.719 . . . . 52.4 111.334 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.28 -28.56 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.733 -0.667 . . . . 61.12 112.16 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -88.0 124.65 33.95 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.973 -0.38 . . . . 65.54 109.973 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -101.33 132.89 46.66 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.692 0.282 . . . . 75.23 110.54 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.7 t -74.31 113.45 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 42.52 110.623 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -88.16 -37.35 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 72.54 110.241 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -124.65 117.05 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.981 -0.748 . . . . 72.55 108.981 -177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.71 174.99 6.42 Favored Glycine 0 C--N 1.333 0.399 0 O-C-N 123.557 0.536 . . . . 73.14 112.5 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 122.11 10.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.474 0.654 . . . . 70.24 111.375 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.2 166.9 25.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 71.22 110.504 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.8 t -58.09 138.26 56.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 62.51 110.532 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.92 -49.45 30.04 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.801 -0.636 . . . . 62.34 111.883 -173.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.34 90.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.624 0.25 . . . . 62.54 111.071 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -60.22 -40.19 89.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.332 -0.395 . . . . 73.43 110.414 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.2 m -61.82 -49.18 77.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.034 -0.53 . . . . 65.34 110.797 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 52' ' ' ARG . 90.5 t -62.1 -41.87 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.98 -0.555 . . . . 64.2 110.61 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.2 -31.65 72.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 72.21 110.426 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -64.24 -50.31 68.49 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.4 -41.81 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.96 -0.564 . . . . 73.44 110.621 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -51.33 -43.07 61.64 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.727 -0.67 . . . . 75.12 111.857 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -72.07 -34.55 68.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.141 0.496 . . . . 74.24 110.716 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -94.85 14.22 22.18 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.597 -0.729 . . . . 73.44 110.927 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -50.24 -27.42 6.0 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.843 0.857 . . . . 75.22 112.842 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 t -71.25 147.8 47.83 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.188 0.518 . . . . 62.45 111.657 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -144.89 157.22 44.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.95 -0.568 . . . . 73.45 109.594 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.2 mt -94.96 -27.23 4.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.291 0.567 . . . . 55.33 110.722 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.531 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 11.6 tpp85 57.57 46.27 1.88 Allowed Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 114.729 -1.123 . . . . 74.24 111.47 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 67' ' ' ARG . 55.7 Cg_endo -91.06 -0.02 4.87 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.362 2.042 . . . . 54.14 112.783 -174.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 70' ' ' SER . 5.4 tppp? -165.86 144.53 5.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.876 -0.416 . . . . 64.14 109.876 -176.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.548 ' HB2' ' O ' ' A' ' 69' ' ' LYS . 26.1 t 164.28 153.37 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.888 0.743 . . . . 41.44 110.042 169.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.441 ' N ' HD21 ' A' ' 71' ' ' LEU . 3.1 mm? -104.46 -9.99 18.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.987 -0.551 . . . . 53.43 110.089 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -164.47 97.84 0.79 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.257 -0.429 . . . . 54.12 110.7 -177.248 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.35 77.81 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.299 0.571 . . . . 70.21 110.039 174.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.519 ' HB3' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.64 -42.24 91.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.733 -0.667 . . . . 75.42 109.55 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 74' ' ' LYS . 6.5 mp -93.32 131.85 38.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.586 -0.733 . . . . 72.41 110.191 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.44 113.03 19.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.906 -0.588 . . . . 72.54 109.89 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 m -65.36 95.88 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.032 0.444 . . . . 75.32 110.601 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -155.83 116.67 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.615 -0.994 . . . . 74.32 110.615 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.72 86.96 0.68 Allowed 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.374 -0.602 . . . . 65.34 109.374 -177.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.528 -1.151 . . . . 64.22 111.27 -178.375 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 CA-C-O 119.537 -0.59 . . . . 54.31 111.783 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.41 106.75 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.866 2.378 . . . . 73.3 112.153 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.72 95.38 0.05 OUTLIER Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.884 -0.598 . . . . 63.2 112.58 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 m -77.59 91.0 3.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.836 -0.431 . . . . 75.22 109.836 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.9 ttt -126.77 124.38 39.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.896 -0.593 . . . . 70.25 110.388 -176.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -135.51 141.13 45.22 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.96 -0.385 . . . . 73.43 109.96 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.58 132.11 69.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.061 0.458 . . . . 74.52 111.464 -174.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.4 ttm -76.28 89.53 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 64.41 109.606 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -146.52 162.58 38.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.687 -0.688 . . . . 71.2 110.222 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.22 83.11 0.08 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.163 0.506 . . . . 71.14 109.659 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.444 ' OD1' ' HB2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -87.09 156.45 54.72 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.23 -0.895 . . . . 72.51 110.812 -177.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -65.84 -16.61 53.62 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.501 2.134 . . . . 75.11 111.723 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' HB2' ' OD1' ' A' ' 11' ' ' ASN . 31.5 m-85 -74.63 2.0 10.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 73.14 110.725 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.412 ' HA ' ' NH2' ' A' ' 52' ' ' ARG . 75.8 m-20 -86.09 9.08 18.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.507 172.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.18 154.9 7.26 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.991 -0.549 . . . . 73.4 111.061 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -102.01 -36.11 8.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.94 -0.573 . . . . 72.15 111.212 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.79 -21.94 20.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 74.54 111.306 -171.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.91 144.12 46.13 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.682 -0.77 . . . . 55.12 111.592 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 50' ' ' ALA . 60.8 mmm -89.36 127.42 35.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.424 -0.584 . . . . 71.05 109.424 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -131.29 154.78 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.082 -0.71 . . . . 71.52 109.082 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -107.09 157.36 17.9 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.846 0.355 . . . . 74.04 111.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG12 HG21 ' A' ' 59' ' ' VAL . 84.5 t -105.58 128.17 59.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 108.925 -0.769 . . . . 75.34 108.925 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 45' ' ' VAL . 47.0 mt -110.63 173.83 6.15 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.946 0.778 . . . . 73.02 110.554 -176.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.7 tt -147.74 147.3 17.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.287 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 60.6 t30 -115.0 155.48 26.87 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.407 -0.96 . . . . 75.55 108.407 167.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.6 t70 -53.2 -16.45 1.23 Allowed 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.998 0.811 . . . . 61.45 111.463 -174.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -75.26 19.98 0.16 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.643 174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' HG2' ' HD3' ' A' ' 67' ' ' ARG . 10.2 mm-40 52.96 26.03 4.42 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.299 0.571 . . . . 74.33 110.337 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.562 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 6.5 mm-40 -76.69 116.21 17.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 74.21 111.004 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.14 137.97 32.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.237 -0.892 . . . . 74.33 109.878 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -155.56 162.42 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.854 0.359 . . . . 53.22 110.083 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -129.31 128.61 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.78 -0.822 . . . . 74.5 108.78 -177.023 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -130.22 129.74 22.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.758 -0.201 . . . . 64.11 110.634 -172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.13 154.65 22.3 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.363 2.042 . . . . 51.42 112.639 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -63.79 -11.38 26.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.725 -0.671 . . . . 75.53 111.874 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -80.1 -3.44 48.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.369 -0.378 . . . . 72.31 111.413 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.83 165.81 25.07 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.689 0.28 . . . . 71.31 110.907 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.83 152.5 20.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.56 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.81 119.87 76.78 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.237 -0.438 . . . . 54.22 110.342 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.36 132.18 28.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.625 2.217 . . . . 75.04 112.682 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.73 35.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.844 -0.617 . . . . 52.4 110.915 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.96 -28.07 11.03 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 111.13 -0.788 . . . . 61.12 111.13 -175.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -101.57 143.53 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.927 -0.768 . . . . 65.54 108.927 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -121.15 151.92 39.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.097 -0.335 . . . . 75.23 110.097 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' HA ' HD22 ' A' ' 23' ' ' LEU . 42.5 t -76.03 127.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 42.52 109.777 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -105.15 -34.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.707 -0.479 . . . . 72.54 109.707 176.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -127.85 128.29 44.95 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.45 -0.944 . . . . 72.55 108.45 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 173.76 25.64 Favored Glycine 0 C--N 1.33 0.242 0 O-C-N 123.505 0.503 . . . . 73.14 112.85 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.59 110.93 0.97 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.327 0.584 . . . . 70.24 110.846 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -139.79 166.78 23.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.286 -0.87 . . . . 71.22 110.781 -176.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -53.35 154.37 3.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.37 0.605 . . . . 62.51 111.881 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' HG22 ' A' ' 56' ' ' VAL . 13.5 tpt180 -50.33 -52.4 37.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.31 -0.859 . . . . 62.34 111.737 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.85 75.98 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.996 0.369 . . . . 62.54 111.996 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.1 m -57.23 -47.45 81.31 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.552 0.691 . . . . 73.43 110.154 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.477 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 m -59.97 -49.28 78.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.015 -0.993 . . . . 65.34 111.16 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 52' ' ' ARG . 76.1 t -58.9 -40.58 80.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.038 0.447 . . . . 64.2 110.609 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.03 -45.47 92.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.548 -0.751 . . . . 72.21 110.739 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -67.36 -39.09 85.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.93 0.395 . . . . 75.13 110.424 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 55' ' ' CYS . 81.0 t -60.36 -39.12 79.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 73.44 110.244 175.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.57 -62.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.879 -0.601 . . . . 75.12 110.909 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -55.14 -23.54 21.69 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.633 0.605 . . . . 74.24 112.633 -173.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -80.51 13.23 2.58 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.728 0.299 . . . . 73.44 111.224 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -73.19 -17.05 61.41 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 122.318 -0.239 . . . . 75.22 110.947 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 p -19.83 -69.49 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.553 1.158 . . . . 62.45 113.743 -172.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -160.77 129.5 4.68 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.144 0.497 . . . . 73.45 110.016 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 70' ' ' SER . 0.7 OUTLIER -91.81 142.73 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.766 -0.652 . . . . 55.33 110.585 -179.68 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.542 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 46.8 mtp85 -65.35 -41.55 52.02 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.089 -0.505 . . . . 74.24 111.584 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 59.3 Cg_endo -71.88 166.41 29.62 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.712 1.608 . . . . 54.14 110.948 169.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 4.2 mptp? -73.37 140.6 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.965 0.412 . . . . 64.14 110.472 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.583 ' HB3' HD13 ' A' ' 66' ' ' ILE . 7.2 p -74.36 153.88 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.867 -0.606 . . . . 41.44 112.335 -171.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.29 143.46 31.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.501 -0.772 . . . . 53.43 109.363 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -87.04 93.27 9.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.321 0.581 . . . . 54.12 111.075 -173.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -143.06 148.51 36.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.301 -0.863 . . . . 70.21 108.81 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.697 ' HG3' HD23 ' A' ' 75' ' ' LEU . 21.4 pttp -128.5 -12.42 4.97 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.613 0.244 . . . . 75.42 111.613 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.697 HD23 ' HG3' ' A' ' 74' ' ' LYS . 3.3 mm? -117.5 -83.4 0.64 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.349 -0.611 . . . . 72.41 109.349 172.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 166.48 -39.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.655 -1.239 . . . . 72.54 107.655 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.6 t -159.01 -168.46 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.018 -1.446 . . . . 75.32 108.015 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.07 -55.76 0.5 Allowed Glycine 0 CA--C 1.512 -0.135 0 N-CA-C 110.168 -1.173 . . . . 74.32 110.168 171.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -147.12 -40.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.226 -1.027 . . . . 65.34 108.226 171.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.782 -1.01 . . . . 64.22 110.963 176.056 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 112.024 -0.43 . . . . 54.31 112.024 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -68.27 92.97 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.38 2.054 . . . . 73.3 111.94 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.98 -157.41 29.67 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.713 -0.676 . . . . 63.2 111.484 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.3 m -94.87 98.85 11.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.422 . . . . 75.22 110.738 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 84.5 mtp -99.62 161.69 13.46 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.538 -0.541 . . . . 70.25 109.538 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.554 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -80.45 142.14 34.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.367 -0.605 . . . . 73.43 109.367 179.701 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.6 pt -53.83 134.35 16.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 O-C-N 123.469 0.481 . . . . 74.52 111.435 -176.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtt -90.88 76.24 6.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.914 -0.584 . . . . 64.41 109.62 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -75.19 -33.16 61.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.864 -0.607 . . . . 71.2 109.551 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -72.05 91.45 1.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.273 -0.64 . . . . 71.14 109.273 175.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -140.34 148.86 55.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.657 -0.247 . . . . 72.51 110.866 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -88.82 7.55 4.26 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.872 2.381 . . . . 75.11 112.28 175.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.14 -20.49 34.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.554 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.71 16.28 25.45 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.539 0.685 . . . . 64.53 109.293 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.21 164.24 15.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.881 -0.6 . . . . 73.4 110.938 -177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -83.47 -25.11 31.45 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.913 -0.585 . . . . 72.15 112.373 -174.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -82.75 -23.61 33.89 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.08 0.4 . . . . 74.54 112.08 -172.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.11 146.48 30.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.922 -0.656 . . . . 55.12 112.595 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 35' ' ' THR . 69.3 mtp -102.45 127.62 49.41 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.921 -0.77 . . . . 71.05 108.921 174.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.74 159.12 39.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.866 -0.42 . . . . 71.52 109.866 -176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' O ' HD22 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -107.7 151.51 25.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.731 0.301 . . . . 74.04 110.892 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.5 t -100.54 126.95 54.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 N-CA-C 109.105 -0.702 . . . . 75.34 109.105 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 45' ' ' VAL . 62.4 mt -113.92 168.21 9.99 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.639 0.587 . . . . 73.02 110.194 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.9 tt -143.02 131.22 19.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.301 174.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 59.1 t30 -92.53 154.69 18.29 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.862 -0.792 . . . . 75.55 108.862 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 28' ' ' GLU . 4.3 t70 -53.89 -26.62 25.91 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.958 0.786 . . . . 61.45 112.581 -166.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.516 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.0 mp0 -77.96 30.53 0.17 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.588 0.232 . . . . 73.21 110.618 174.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HA ' HD13 ' A' ' 24' ' ' ILE . 29.4 mm-40 53.07 29.73 8.53 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.129 0.572 . . . . 74.33 111.677 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.545 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.5 mt-30 -82.44 115.52 21.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.293 -0.632 . . . . 74.21 109.293 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.546 ' NE2' ' HA ' ' A' ' 63' ' ' TRP . 4.6 p-80 -103.4 131.98 50.04 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.11 -0.495 . . . . 74.33 109.773 -175.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -155.11 -177.79 6.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.014 -0.736 . . . . 53.22 109.014 -172.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.0 135.85 45.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.989 -0.551 . . . . 74.5 109.77 -169.069 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -133.05 131.48 21.87 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.537 -0.302 . . . . 64.11 110.261 -172.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.06 155.7 26.14 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.599 2.2 . . . . 51.42 112.886 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 19' ' ' MET . 17.8 p -59.91 -25.53 65.19 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.607 -0.724 . . . . 75.53 111.675 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.68 -11.04 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.502 -0.772 . . . . 72.31 111.739 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.1 156.57 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 71.31 111.259 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.49 152.63 21.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.972 -0.558 . . . . 73.44 110.347 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -70.63 117.22 53.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.601 . . . . 54.22 111.066 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.63 132.1 22.82 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.537 2.158 . . . . 75.04 111.838 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.83 128.08 34.91 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.034 -0.53 . . . . 52.4 110.695 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.9 -28.36 12.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.756 -0.656 . . . . 61.12 111.564 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -97.45 97.29 8.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.672 -0.492 . . . . 65.54 109.672 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -87.06 143.08 27.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.807 -0.633 . . . . 75.23 110.583 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.441 ' HA ' HD22 ' A' ' 23' ' ' LEU . 39.6 t -71.85 129.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 42.52 110.875 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -106.8 -35.04 2.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 72.54 109.782 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.3 132.77 39.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.683 -0.858 . . . . 72.55 108.683 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 177.96 43.42 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.021 -0.609 . . . . 73.14 112.615 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.42 117.5 3.62 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.855 0.359 . . . . 70.24 110.975 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.14 166.77 25.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 71.22 110.337 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -54.14 137.49 40.33 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.267 0.354 . . . . 62.51 111.011 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -44.02 43.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.427 -0.806 . . . . 62.34 111.768 -172.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.71 95.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.707 0.289 . . . . 62.54 111.51 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 m -65.35 -42.36 92.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.393 0.616 . . . . 73.43 109.641 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.486 ' O ' HG22 ' A' ' 59' ' ' VAL . 49.5 m -56.76 -51.82 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.041 -0.981 . . . . 65.34 110.501 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.2 -39.37 82.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.005 -0.543 . . . . 64.2 110.71 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -58.04 -47.4 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 72.21 109.964 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -66.29 -46.05 78.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.05 -0.523 . . . . 75.13 110.598 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 55' ' ' CYS . 98.6 t -53.68 -40.56 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.721 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.7 -47.42 86.34 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.282 -0.417 . . . . 75.12 110.633 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -63.11 -38.7 92.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.107 0.479 . . . . 74.24 110.886 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -94.3 13.41 23.61 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.051 -0.522 . . . . 73.44 111.221 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.546 ' HA ' ' NE2' ' A' ' 30' ' ' HIS . 90.7 t90 -71.94 -34.35 68.96 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.588 -0.523 . . . . 75.22 109.588 174.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.7 m -69.93 142.63 52.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.145 -0.934 . . . . 62.45 111.114 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 t70 70.14 106.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.871 0.732 . . . . 73.45 111.78 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.876 HG23 ' HD2' ' A' ' 68' ' ' PRO . 35.3 mt -125.77 146.65 31.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.132 -0.692 . . . . 55.33 109.132 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.632 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 16.3 tpp180 -65.03 -59.87 9.2 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 111.87 0.322 . . . . 74.24 111.87 -172.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.876 ' HD2' HG23 ' A' ' 66' ' ' ILE . 83.6 Cg_endo -78.45 -177.77 4.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 121.904 1.736 . . . . 54.14 112.137 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.666 ' HZ3' ' HB3' ' A' ' 69' ' ' LYS . 1.1 mmmp? -92.09 16.31 11.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.095 0.474 . . . . 64.14 110.146 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.9 m -73.3 108.8 6.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.824 -0.626 . . . . 41.44 111.279 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -110.52 140.85 44.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.153 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -120.27 133.41 55.47 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.265 -0.425 . . . . 54.12 110.318 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.74 118.59 9.17 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.196 -0.456 . . . . 70.21 109.903 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -81.38 74.6 8.37 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.061 -0.718 . . . . 75.42 109.061 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -85.46 -69.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.377 -0.829 . . . . 72.41 109.057 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.09 131.12 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.857 -0.61 . . . . 72.54 110.06 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.5 p -76.91 -74.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.962 0.41 . . . . 75.32 110.588 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.08 79.95 0.04 OUTLIER Glycine 0 C--N 1.331 0.293 0 N-CA-C 111.589 -0.604 . . . . 74.32 111.589 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -168.67 169.32 10.21 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.413 0.285 . . . . 65.34 110.28 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.66 -1.078 . . . . 64.22 111.588 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 CA-C-O 119.938 -0.368 . . . . 54.31 112.403 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.22 113.55 1.81 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.539 2.16 . . . . 73.3 111.698 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.91 -53.16 4.32 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 121.173 -0.537 . . . . 63.2 111.882 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m -62.06 -5.83 2.5 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.679 0.392 . . . . 75.22 111.816 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.0 ptp -59.51 -28.64 67.24 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.81 0.338 . . . . 70.25 110.877 175.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -80.71 85.31 6.09 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.804 -0.443 . . . . 73.43 109.804 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.5 pt -106.47 177.96 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.877 -0.601 . . . . 74.52 110.779 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.542 ' SD ' HD11 ' A' ' 75' ' ' LEU . 23.9 mmt -80.56 77.19 7.39 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.496 -0.557 . . . . 64.41 109.496 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -58.63 -48.13 82.04 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 71.2 110.235 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -148.82 129.77 14.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.732 -0.667 . . . . 71.14 109.51 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -111.64 83.06 4.17 Favored Pre-proline 0 N--CA 1.466 0.37 0 N-CA-C 109.657 -0.497 . . . . 72.51 109.657 174.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -83.71 -16.66 6.51 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.643 2.228 . . . . 75.11 112.499 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -77.24 -1.17 28.25 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.982 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -87.48 -17.38 32.29 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.138 -0.483 . . . . 64.53 110.114 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.43 157.98 34.65 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.814 -0.63 . . . . 73.4 110.329 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -112.85 -19.55 11.93 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.836 0.31 . . . . 72.15 111.836 -175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.61 -17.32 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.463 -175.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.39 162.2 41.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.058 -0.591 . . . . 55.12 112.019 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.3 mtp -105.53 127.73 53.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 6.6 m-85 -128.84 157.4 41.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.663 -0.495 . . . . 71.52 109.663 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -110.84 154.29 24.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.717 0.294 . . . . 74.04 111.056 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.528 ' O ' HG21 ' A' ' 46' ' ' VAL . 47.4 t -107.77 122.32 61.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.683 -0.858 . . . . 75.34 108.683 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 45' ' ' VAL . 35.3 mt -100.01 174.76 6.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.361 -0.836 . . . . 73.02 110.236 -176.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 8.4 tt -153.21 144.48 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 72.04 110.819 173.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -102.72 147.07 27.29 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.98 -1.489 . . . . 75.55 106.98 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.05 -8.31 3.23 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.025 0.828 . . . . 61.45 112.07 -166.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.656 ' HG3' ' HG3' ' A' ' 29' ' ' GLN . 11.6 pt-20 -87.28 26.12 1.27 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.783 -0.644 . . . . 73.21 109.871 169.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.505 ' HA ' HD13 ' A' ' 24' ' ' ILE . 49.0 mt-10 62.93 23.35 13.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.119 -0.946 . . . . 74.33 111.586 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.707 ' HG2' ' HG ' ' A' ' 71' ' ' LEU . 16.9 mt-30 -85.88 116.3 24.04 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.286 -0.565 . . . . 74.21 110.089 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -98.34 155.25 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.27 -0.423 . . . . 74.33 109.955 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.0 t -160.11 147.85 16.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.948 -0.76 . . . . 53.22 108.948 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.59 117.54 34.43 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.567 -0.531 . . . . 74.5 109.567 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -120.89 135.36 24.71 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.183 -0.462 . . . . 64.11 110.275 -173.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.687 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 62.2 Cg_endo -87.63 155.17 7.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.612 2.208 . . . . 51.42 113.011 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 p -58.42 -24.64 60.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.828 -0.623 . . . . 75.53 111.694 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -68.34 -24.38 64.81 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.719 -0.673 . . . . 72.31 112.133 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.09 160.66 17.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.618 0.247 . . . . 71.31 111.284 -174.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.88 145.21 25.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.483 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.45 132.28 87.72 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.092 -0.504 . . . . 54.22 111.432 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.35 123.63 10.43 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.535 2.157 . . . . 75.04 112.146 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.49 128.26 22.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.644 -0.707 . . . . 52.4 110.942 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.14 15.04 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 116.038 -0.528 . . . . 61.12 111.793 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -97.55 125.36 42.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.657 -0.497 . . . . 65.54 109.657 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -100.43 143.03 31.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.412 -0.218 . . . . 75.23 110.412 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.447 ' HA ' HD22 ' A' ' 23' ' ' LEU . 60.5 t -72.03 116.05 13.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 110.072 -0.344 . . . . 42.52 110.072 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -92.3 -38.38 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 72.54 109.588 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.45 28.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.239 -1.023 . . . . 72.55 108.239 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.02 171.11 10.14 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.077 -0.582 . . . . 73.14 112.398 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.6 pt-20 -55.4 111.47 0.89 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.349 0.595 . . . . 70.24 110.159 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.14 167.41 21.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.134 -0.939 . . . . 71.22 110.489 -174.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.4 p -51.09 137.88 20.94 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.989 -0.55 . . . . 62.51 111.092 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 tpt85 -47.69 -43.17 26.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.634 -0.712 . . . . 62.34 112.3 -174.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.31 84.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 62.54 111.644 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 m -59.1 -46.98 86.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.407 0.622 . . . . 73.43 110.363 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.2 m -59.62 -47.09 86.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.025 -0.989 . . . . 65.34 110.551 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 52' ' ' ARG . 81.5 t -58.74 -42.6 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.315 -0.402 . . . . 64.2 110.597 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -60.05 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 72.21 110.474 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.57 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 43.8 t80 -67.56 -39.71 84.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 75.13 110.936 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.52 -39.01 83.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.527 -0.306 . . . . 73.44 111.394 174.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.61 -35.66 81.25 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.603 0.239 . . . . 75.12 111.498 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 58' ' ' TYR . 13.9 pt20 -67.01 -1.59 4.31 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.745 0.276 . . . . 74.24 111.745 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -62.21 0.22 0.46 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.431 0.16 . . . . 73.44 111.431 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -56.9 -20.0 20.87 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.068 0.461 . . . . 75.22 109.949 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.8 m -48.22 138.41 9.7 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.482 -0.781 . . . . 62.45 110.196 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.9 106.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 73.45 111.432 -175.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.658 HG21 ' HD2' ' A' ' 68' ' ' PRO . 34.7 mm -85.11 132.04 32.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.847 -0.615 . . . . 55.33 109.359 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.501 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 26.2 mtm180 -65.63 -48.67 64.14 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 113.175 0.806 . . . . 74.24 113.175 -168.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.658 ' HD2' HG21 ' A' ' 66' ' ' ILE . 45.9 Cg_endo -65.37 -6.28 13.1 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.307 2.005 . . . . 54.14 112.706 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 69.65 -69.7 0.16 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.461 0.704 . . . . 64.14 111.286 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.9 m -75.65 88.01 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.969 0.414 . . . . 41.44 111.106 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.707 ' HG ' ' HG2' ' A' ' 29' ' ' GLN . 6.1 tt -83.57 108.08 16.45 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.913 -0.773 . . . . 53.43 108.913 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -118.39 127.99 54.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.257 0.551 . . . . 54.12 110.799 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -98.89 166.26 11.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.237 -0.892 . . . . 70.21 110.634 -172.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -103.17 176.78 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 75.42 109.801 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.542 HD11 ' SD ' ' A' ' 8' ' ' MET . 55.9 tp -79.92 125.12 29.33 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.368 0.604 . . . . 72.41 109.53 173.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.687 ' HB1' ' HD3' ' A' ' 34' ' ' PRO . . . -90.76 72.18 6.66 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.887 -1.051 . . . . 72.54 110.67 -175.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -167.94 166.26 13.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.77 -0.65 . . . . 75.32 110.264 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.01 -166.22 20.38 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.265 -0.734 . . . . 74.32 111.265 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -123.13 146.81 47.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.24 -0.281 . . . . 65.34 110.24 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 119.078 -0.845 . . . . 64.22 111.383 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.467 -0.653 . . . . 54.31 111.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -71.44 103.42 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.843 2.362 . . . . 73.3 111.771 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.37 152.95 6.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.206 -0.521 . . . . 63.2 111.898 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m -79.9 119.94 23.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.202 -0.295 . . . . 75.22 110.202 178.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.2 ttt -74.53 81.36 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.221 0.534 . . . . 70.25 109.772 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -115.03 108.12 16.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 73.43 110.103 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.539 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -136.89 174.62 11.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.745 -0.661 . . . . 74.52 109.961 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mtt -81.21 100.88 9.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.122 -0.325 . . . . 64.41 110.122 176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -80.36 119.02 22.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.493 . . . . 71.2 110.213 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 19.3 m-20 -73.96 155.5 38.58 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.689 -0.486 . . . . 71.14 109.689 176.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.92 107.63 1.23 Allowed Pre-proline 0 CA--C 1.536 0.436 0 O-C-N 123.369 0.418 . . . . 72.51 111.051 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 92.5 Cg_endo -79.46 -23.13 7.54 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.392 2.062 . . . . 75.11 111.614 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -90.69 8.05 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.567 -0.742 . . . . 73.14 110.811 -177.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -84.49 -12.79 53.58 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.25 0.548 . . . . 64.53 110.307 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -75.31 164.97 25.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.669 -0.696 . . . . 73.4 110.651 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.09 -16.25 9.81 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.625 -0.261 . . . . 72.15 111.654 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.14 -22.74 38.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.865 0.364 . . . . 74.54 110.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.99 146.01 35.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.074 -0.584 . . . . 55.12 111.644 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -91.1 127.36 36.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -126.91 149.66 49.69 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.777 -0.453 . . . . 71.52 109.777 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.28 153.58 19.85 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.944 0.402 . . . . 74.04 111.278 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG12 HG22 ' A' ' 59' ' ' VAL . 58.8 t -103.78 127.93 57.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.183 -0.673 . . . . 75.34 109.183 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 45' ' ' VAL . 38.6 mt -114.12 170.13 8.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.641 -0.709 . . . . 73.02 110.214 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.4 tt -151.02 144.81 16.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 120.965 0.412 . . . . 72.04 110.858 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.506 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 52.9 t30 -98.05 151.93 19.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.094 -1.076 . . . . 75.55 108.094 166.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 28' ' ' GLU . 17.5 t70 -63.33 -14.5 50.6 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.776 0.673 . . . . 61.45 110.494 -169.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.532 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 44.0 mt-10 -78.3 25.13 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.246 -0.888 . . . . 73.21 110.441 173.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HA ' HD11 ' A' ' 24' ' ' ILE . 57.5 mm-40 53.42 37.96 26.8 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.254 0.622 . . . . 74.33 111.661 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 96.7 mt-30 -98.11 115.86 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.134 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -88.49 146.82 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 74.33 110.781 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 t -153.47 169.65 22.65 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.116 -0.328 . . . . 53.22 110.116 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.83 131.26 35.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.053 -0.721 . . . . 74.5 109.053 -176.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -134.45 135.89 24.68 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 123.092 0.245 . . . . 64.11 110.425 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -83.23 154.79 14.45 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.873 2.382 . . . . 51.42 112.9 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -60.96 -21.11 63.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.636 -0.711 . . . . 75.53 111.678 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -75.81 4.46 7.97 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.909 -0.587 . . . . 72.31 111.868 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.7 169.08 18.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.687 0.28 . . . . 71.31 111.145 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.37 147.43 23.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.355 -0.384 . . . . 73.44 109.999 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.68 122.26 73.01 Favored Pre-proline 0 CA--C 1.534 0.358 0 O-C-N 123.449 0.468 . . . . 54.22 110.623 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.65 134.22 40.03 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.428 2.086 . . . . 75.04 112.703 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.13 128.8 28.97 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 52.4 110.973 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -28.44 14.79 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.885 -0.598 . . . . 61.12 111.825 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -94.9 125.77 39.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.655 -0.498 . . . . 65.54 109.655 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.4 145.35 30.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 75.23 110.658 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' HA ' HD21 ' A' ' 23' ' ' LEU . 29.8 t -76.68 122.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.835 -0.62 . . . . 42.52 110.656 -177.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -100.62 -31.75 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.187 0.517 . . . . 72.54 110.042 177.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.11 131.7 35.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.796 -0.816 . . . . 72.55 108.796 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.02 179.72 13.17 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.142 -0.551 . . . . 73.14 112.301 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.22 110.62 1.27 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.929 0.395 . . . . 70.24 110.028 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.506 ' HB1' ' SG ' ' A' ' 55' ' ' CYS . . . -134.18 167.01 21.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.918 -0.583 . . . . 71.22 111.103 -173.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.7 p -53.88 150.32 7.78 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.465 -0.789 . . . . 62.51 111.321 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.515 ' O ' HG21 ' A' ' 56' ' ' VAL . 8.8 tpt180 -52.62 -52.53 54.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.627 -0.715 . . . . 62.34 111.495 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.76 76.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.364 -0.38 . . . . 62.54 111.759 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -57.9 -47.73 81.95 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.052 0.453 . . . . 73.43 110.421 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.529 ' O ' HG21 ' A' ' 59' ' ' VAL . 85.0 m -60.98 -48.14 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.441 -0.799 . . . . 65.34 111.128 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 52' ' ' ARG . 77.2 t -57.18 -48.74 81.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.712 0.292 . . . . 64.2 110.824 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.62 -47.4 86.37 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.515 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -63.04 -42.81 99.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.13 110.57 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 HG12 ' A' ' 22' ' ' VAL . 63.5 t -55.53 -50.09 68.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.014 -0.539 . . . . 73.44 110.638 176.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 26.6 t70 -58.27 -59.62 5.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.07 -0.514 . . . . 75.12 110.979 -176.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -52.45 -9.95 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.509 0.929 . . . . 74.24 113.509 -170.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' ASP . 15.1 m-70 -93.97 13.16 23.69 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.356 0.502 . . . . 73.44 112.356 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 34.3 p-90 -88.4 -7.29 56.88 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.744 -0.597 . . . . 75.22 110.9 175.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 t -54.54 -29.24 50.34 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.277 0.473 . . . . 62.45 112.277 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.82 95.99 1.82 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.699 0.285 . . . . 73.45 110.449 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.685 HG21 ' HD2' ' A' ' 68' ' ' PRO . 55.3 mt -98.15 138.89 21.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 109.012 -0.736 . . . . 55.33 109.012 175.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.723 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 3.8 tpp180 -69.11 -55.95 9.5 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 112.121 0.415 . . . . 74.24 112.121 -170.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 39.2 Cg_exo -57.69 148.03 76.56 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.25 1.967 . . . . 54.14 112.333 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -64.8 86.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.744 -0.836 . . . . 64.14 108.744 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 m -75.8 99.7 4.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.7 -0.682 . . . . 41.44 111.554 -173.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.48 -20.87 42.73 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.444 -0.576 . . . . 53.43 109.444 174.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -78.69 46.0 0.63 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.384 -0.825 . . . . 54.12 109.957 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 41.0 tt0 -75.96 142.52 41.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 70.21 110.777 -176.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -151.06 -177.51 6.07 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.727 -0.67 . . . . 75.42 109.27 176.24 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.575 HD21 ' H ' ' A' ' 76' ' ' ALA . 3.1 tm? -152.93 140.43 19.74 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.842 0.353 . . . . 72.41 110.124 -177.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.575 ' H ' HD21 ' A' ' 75' ' ' LEU . . . -102.26 102.83 13.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 72.54 109.959 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.0 t -57.79 140.68 51.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.051 0.453 . . . . 75.32 110.616 -176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.38 -34.91 4.55 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 116.012 -0.54 . . . . 74.32 112.456 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 28.2 tt0 60.22 24.11 13.49 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.871 0.844 . . . . 65.34 109.859 -177.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.015 -0.993 . . . . 64.22 110.989 -179.059 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 111.518 -0.633 . . . . 55.12 111.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -97.39 129.92 44.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.727 -0.472 . . . . 71.05 109.727 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -120.77 161.52 21.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.586 -0.279 . . . . 71.52 110.537 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.7 149.86 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 73.54 110.53 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.439 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.0 t -99.19 125.11 52.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 109.02 -0.733 . . . . 75.34 109.02 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.5 mt -108.9 168.97 8.97 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.885 0.74 . . . . 73.02 110.197 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.4 tt -146.84 148.56 16.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.118 -0.492 . . . . 72.04 110.456 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 38.3 t-20 -114.43 150.05 35.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.297 -1.371 . . . . 75.55 107.297 168.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.14 -18.72 4.04 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.267 0.839 . . . . 61.45 113.267 -168.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 4.9 mp0 -81.44 29.26 0.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.943 -0.391 . . . . 73.21 109.943 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' HA ' HD11 ' A' ' 24' ' ' ILE . 29.2 mm-40 49.84 35.65 9.74 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.488 0.715 . . . . 74.33 111.386 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.535 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 30.6 mm-40 -83.81 116.21 22.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.722 . . . . 74.21 109.11 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -106.93 143.78 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.225 -0.287 . . . . 74.33 110.225 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 t -154.75 162.93 40.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.641 . . . . 53.22 109.268 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.1 tp -119.15 116.96 27.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 74.5 109.848 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -114.15 135.67 22.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 63.34 110.189 -171.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -84.37 154.35 12.33 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.902 2.401 . . . . 51.42 112.954 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -14.9 60.19 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.833 -0.622 . . . . 70.21 111.269 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -79.51 0.8 28.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.028 -0.533 . . . . 72.31 111.162 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.67 152.83 49.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 71.31 110.431 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -84.71 148.54 26.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.884 -0.413 . . . . 73.44 109.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 120.04 57.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 54.22 110.6 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.43 129.59 21.74 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.714 2.276 . . . . 75.04 112.573 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.55 34.25 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.833 -0.621 . . . . 52.4 110.636 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -19.97 27.51 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 111.468 -0.653 . . . . 61.12 111.468 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -111.43 130.86 55.57 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.831 -0.433 . . . . 65.54 109.831 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 44' ' ' ARG . 12.3 ptm180 -108.03 144.65 35.07 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.645 0.26 . . . . 75.23 110.345 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.519 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.0 t -75.66 113.41 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 42.52 110.654 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -89.43 -32.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.96 0.41 . . . . 54.42 110.016 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -131.21 121.57 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 72.55 108.743 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.53 173.94 11.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.354 -0.451 . . . . 73.14 112.719 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.02 115.0 1.97 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.058 0.456 . . . . 63.23 110.981 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.61 166.6 24.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 24.11 109.976 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 m -55.98 139.38 46.68 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 110.235 -0.283 . . . . 62.51 110.235 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -47.7 -34.65 8.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.534 0.568 . . . . 61.4 112.534 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.12 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.851 0.315 . . . . 62.54 111.851 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -64.88 -42.35 94.89 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.285 -0.635 . . . . 73.43 109.285 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.8 m -55.69 -53.47 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.06 -0.973 . . . . 64.42 110.579 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.042 -0.527 . . . . 63.11 111.016 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.49 -43.1 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.141 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -65.62 -54.38 28.55 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.03 -0.532 . . . . 75.13 110.755 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' CYS . 74.1 t . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 120.935 0.398 . . . . 73.44 110.878 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.726 0 N-CA-C 111.263 -0.735 . . . . 55.12 111.263 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.0 mtp -74.58 127.62 33.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.726 -0.472 . . . . 71.05 109.726 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 52' ' ' ARG . 7.5 m-85 -126.13 169.91 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 71.52 110.1 -177.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.519 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -120.86 159.48 25.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.833 0.349 . . . . 73.54 110.765 175.83 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 46' ' ' VAL . 30.7 t -108.13 127.91 63.98 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.341 -0.985 . . . . 75.34 108.341 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 45' ' ' VAL . 67.1 mt -105.72 173.41 6.32 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.727 0.642 . . . . 73.02 111.016 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 10.9 tt -149.4 154.91 8.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.537 174.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.565 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 65.3 t30 -125.26 150.19 47.29 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.64 -1.245 . . . . 75.55 107.64 168.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.24 -13.72 5.69 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.098 0.874 . . . . 61.45 112.969 -167.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.712 ' HG3' ' HG2' ' A' ' 29' ' ' GLN . 4.3 pt-20 -90.42 35.14 0.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.821 -0.807 . . . . 73.21 108.821 168.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' ASN . 36.0 mt-10 56.21 24.15 7.79 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 114.486 -1.234 . . . . 74.33 111.784 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.712 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 78.0 mm-40 -70.34 156.5 39.22 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.342 -0.614 . . . . 74.21 109.342 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -144.35 153.21 41.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.269 -0.271 . . . . 74.33 110.269 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 t -173.58 146.34 1.31 Allowed 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.916 -0.772 . . . . 53.22 108.916 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.98 115.48 30.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.165 -0.68 . . . . 74.5 109.165 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -115.06 134.11 22.57 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.585 -0.28 . . . . 63.34 110.39 -172.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -82.73 154.74 15.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.682 2.255 . . . . 51.42 113.393 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 p -62.17 -21.2 64.88 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.459 -0.791 . . . . 70.21 111.151 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -80.17 6.55 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.388 -0.824 . . . . 72.31 111.17 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.49 153.28 43.5 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.141 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.66 150.72 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.601 -0.272 . . . . 73.44 110.875 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.68 119.85 69.14 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-N 115.75 -0.659 . . . . 54.22 110.411 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.81 133.94 38.37 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.482 2.121 . . . . 75.04 112.202 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.46 128.24 33.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.052 -0.522 . . . . 52.4 110.381 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.85 -18.26 29.28 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.702 -0.559 . . . . 61.12 111.702 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -111.35 144.49 40.46 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.567 -0.531 . . . . 65.54 109.567 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -122.34 150.41 42.43 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.957 -0.386 . . . . 75.23 109.957 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.8 t -79.9 118.66 27.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 42.52 110.385 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' VAL . 4.3 m -95.23 -34.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.187 0.518 . . . . 54.42 109.864 176.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -125.4 113.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.836 -0.802 . . . . 72.55 108.836 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.98 -178.87 6.93 Favored Glycine 0 CA--C 1.52 0.4 0 O-C-N 123.463 0.477 . . . . 73.14 113.335 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 1.8 mp0 -55.14 119.02 4.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 122.57 0.348 . . . . 63.23 110.762 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.95 166.77 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 24.11 110.462 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.6 t -59.86 155.57 16.09 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.718 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.1 tpt180 -53.02 -49.62 65.91 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.945 -0.571 . . . . 61.4 111.422 -174.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.72 67.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.874 0.369 . . . . 62.54 111.664 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -67.44 -48.95 65.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.475 0.655 . . . . 73.43 110.111 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' VAL . 36.0 m -59.53 -48.71 80.59 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 64.42 110.307 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.2 t -60.44 -40.66 84.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.617 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.69 -47.15 86.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.984 -0.553 . . . . 72.21 110.176 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -64.08 -43.56 95.05 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.784 -0.366 . . . . 75.13 110.941 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 55' ' ' CYS . 71.9 t . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 120.918 0.389 . . . . 73.44 110.173 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 111.612 -0.595 . . . . 55.12 111.612 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' THR . 47.6 mtp -90.18 127.5 36.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.331 -0.618 . . . . 71.05 109.331 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' HB2' HD11 ' A' ' 32' ' ' LEU . 4.9 m-85 -128.64 161.62 29.23 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.552 -0.536 . . . . 71.52 109.552 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.13 147.17 34.19 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.627 0.251 . . . . 73.54 110.916 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 46' ' ' VAL . 92.0 t -96.74 129.11 47.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.328 -0.619 . . . . 75.34 109.328 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 45' ' ' VAL . 44.5 mt -113.13 169.99 8.54 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.866 -0.606 . . . . 73.02 110.279 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.4 tt -147.69 148.26 16.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.412 -0.358 . . . . 72.04 110.742 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.2 t30 -119.78 155.29 32.81 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.484 -0.932 . . . . 75.55 108.484 169.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 28' ' ' GLU . 36.6 t70 -50.5 -31.19 14.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.287 0.847 . . . . 61.45 113.287 -165.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.1 mp0 -74.57 29.51 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 122.19 -0.319 . . . . 73.21 111.124 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 26' ' ' ASP . 78.8 mm-40 50.37 32.52 6.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 122.666 0.386 . . . . 74.33 111.187 -173.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.0 mt-30 -72.47 115.65 11.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.679 -1.23 . . . . 74.21 107.679 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -108.41 131.93 54.27 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.918 -0.771 . . . . 74.33 108.918 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -154.15 178.02 10.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.122 0.487 . . . . 53.22 110.762 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 20' ' ' PHE . 42.2 tp -133.72 136.24 44.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.331 -0.849 . . . . 74.5 109.484 -174.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -132.09 131.49 22.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 110.419 -0.215 . . . . 63.34 110.419 -174.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 87.5 Cg_endo -77.97 155.82 30.29 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.594 2.196 . . . . 51.42 113.11 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 19' ' ' MET . 18.5 p -64.59 -13.95 55.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.798 -0.637 . . . . 70.21 111.322 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -77.12 -17.89 58.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.966 -0.561 . . . . 72.31 111.645 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.9 175.19 5.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.66 0.267 . . . . 71.31 111.214 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -107.35 152.61 23.92 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.089 -0.505 . . . . 73.44 110.713 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.94 122.92 84.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.942 -0.572 . . . . 54.22 110.819 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.92 133.39 29.05 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.61 2.207 . . . . 75.04 111.892 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.16 128.43 24.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.78 -0.646 . . . . 52.4 111.066 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.79 -28.2 12.89 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.052 -0.522 . . . . 61.12 111.908 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -95.01 134.09 38.07 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 110.321 -0.252 . . . . 65.54 110.321 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -109.56 150.3 28.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.205 -0.295 . . . . 75.23 110.205 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' A' ' 23' ' ' LEU . 36.3 t -81.83 114.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 42.52 110.524 -178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -90.61 -32.08 5.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.175 0.512 . . . . 54.42 110.017 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.96 125.39 26.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.909 -0.774 . . . . 72.55 108.909 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.5 176.16 14.74 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.336 -0.459 . . . . 73.14 112.317 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -55.34 111.19 0.82 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.435 0.636 . . . . 63.23 111.343 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.53 166.76 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.253 -0.885 . . . . 24.11 109.746 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -53.62 132.87 41.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.306 -0.406 . . . . 62.51 109.952 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.449 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.62 -38.76 15.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.814 -0.63 . . . . 61.4 111.403 -172.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.61 84.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.794 -0.184 . . . . 62.54 111.369 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -60.36 -39.99 89.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.51 0.672 . . . . 73.43 109.484 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.3 m -62.63 -47.07 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.866 -1.061 . . . . 64.42 110.777 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 52' ' ' ARG . 86.4 t -64.56 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 116.223 -0.444 . . . . 63.11 110.373 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.723 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.37 -56.96 15.15 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.554 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 55' ' ' CYS . 64.1 t . . . . . 0 N--CA 1.464 0.249 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.906 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.136 0 N-CA-C 111.926 -0.47 . . . . 55.12 111.926 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.8 mtp -86.84 142.37 28.12 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.695 -0.854 . . . . 71.05 108.695 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 32' ' ' LEU . 12.2 m-85 -128.55 152.71 47.98 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.24 -0.184 . . . . 71.52 110.509 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 35' ' ' THR . 0.2 OUTLIER -107.43 147.55 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.889 -0.412 . . . . 73.54 109.889 171.544 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.524 ' O ' HG22 ' A' ' 46' ' ' VAL . 57.2 t -97.55 122.82 49.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 109.16 -0.681 . . . . 75.34 109.16 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.7 mt -109.53 160.22 16.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.602 -0.726 . . . . 73.02 109.808 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.9 tt -134.97 128.59 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.711 -0.477 . . . . 72.04 109.711 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.514 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 28.3 t-20 -77.18 147.94 36.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.99 -1.115 . . . . 75.55 107.99 173.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 28' ' ' GLU . 7.7 t70 -54.51 -26.12 29.75 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.066 0.854 . . . . 61.45 110.522 -173.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 1.5 mp0 -72.65 21.11 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.399 -0.819 . . . . 73.21 111.266 172.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 26' ' ' ASP . 47.4 mt-10 61.3 29.25 18.54 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.267 0.627 . . . . 74.33 110.754 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 88.1 mt-30 -89.85 125.1 35.21 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.763 -0.375 . . . . 74.21 110.705 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -84.47 142.15 30.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.209 -0.293 . . . . 74.33 110.209 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 p -155.18 162.71 40.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.438 . . . . 53.22 111.142 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 20' ' ' PHE . 31.5 tp -128.6 129.92 46.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.637 -0.875 . . . . 74.5 108.637 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -129.88 135.55 27.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.239 -0.282 . . . . 63.34 110.239 -172.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -79.23 151.74 23.51 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.682 2.255 . . . . 51.42 113.139 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 15.0 p -59.12 -30.57 68.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.341 -0.845 . . . . 70.21 112.093 -177.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.8 -25.34 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.842 -0.617 . . . . 72.31 111.069 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.83 147.91 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.582 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -87.23 149.62 24.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 73.44 110.45 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.14 121.57 78.94 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.04 -0.527 . . . . 54.22 110.902 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.29 131.93 18.55 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.653 2.236 . . . . 75.04 112.494 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.54 128.39 31.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.918 -0.583 . . . . 52.4 111.205 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 -23.41 21.32 Favored Glycine 0 N--CA 1.454 -0.165 0 N-CA-C 110.984 -0.846 . . . . 61.12 110.984 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CZ3' ' HB2' ' A' ' 25' ' ' ASN . 59.3 m95 -103.64 122.26 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.855 -0.795 . . . . 65.54 108.855 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -100.86 143.77 30.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.16 -0.311 . . . . 75.23 110.16 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.537 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.2 t -75.43 123.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 42.52 110.345 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.3 m -101.67 -34.52 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.598 -0.519 . . . . 54.42 109.598 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.84 120.22 19.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.487 -0.931 . . . . 72.55 108.487 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.26 -178.68 7.28 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.226 -0.511 . . . . 73.14 112.598 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.72 114.72 1.81 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.175 0.512 . . . . 63.23 110.673 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -140.94 166.96 23.36 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.633 -0.712 . . . . 24.11 110.462 -175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.5 t -62.46 152.91 33.08 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.721 -0.672 . . . . 62.51 111.082 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.4 tpt180 -47.31 -52.66 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.782 -1.099 . . . . 61.4 112.638 -176.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.96 79.28 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.0 0.37 . . . . 62.54 112.0 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 m -56.6 -47.29 79.9 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.401 0.62 . . . . 73.43 110.209 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' HG23 ' A' ' 59' ' ' VAL . 61.9 m -61.68 -51.35 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.996 -1.002 . . . . 64.42 111.001 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 52' ' ' ARG . 76.4 t -58.37 -44.33 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 120.948 0.404 . . . . 63.11 110.674 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 72.21 110.521 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.38 -46.29 87.17 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.472 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 55' ' ' CYS . 86.4 t . . . . . 0 C--O 1.235 0.308 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.733 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 CA-C-O 120.987 0.215 . . . . 55.12 112.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.7 mmm -104.11 126.8 51.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.594 -0.891 . . . . 71.05 108.594 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' HB2' HD11 ' A' ' 32' ' ' LEU . 3.6 m-85 -133.42 154.13 51.03 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.273 -0.64 . . . . 71.52 109.273 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 142.88 34.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.283 -0.265 . . . . 73.54 110.283 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.8 t -94.46 124.22 46.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 N-CA-C 109.093 -0.706 . . . . 75.34 109.093 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 45' ' ' VAL . 48.3 mt -106.84 167.11 10.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.661 -0.7 . . . . 73.02 110.185 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 28' ' ' GLU . 8.1 tt -146.92 136.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.104 -0.498 . . . . 72.04 110.036 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -92.36 150.97 20.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.481 -0.933 . . . . 75.55 108.481 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.09 -7.7 2.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.023 0.827 . . . . 61.45 112.252 -171.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.731 ' HG3' ' HB2' ' A' ' 29' ' ' GLN . 10.0 pt-20 -82.71 16.64 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.635 -0.505 . . . . 73.21 109.635 169.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 24' ' ' ILE . 40.9 mt-10 58.23 40.27 24.94 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 121.681 0.753 . . . . 74.33 110.238 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.731 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.0 116.63 32.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.33 -0.85 . . . . 74.21 110.109 -179.603 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -87.17 144.37 26.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.752 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 t -149.1 165.66 31.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.348 -0.612 . . . . 53.22 109.348 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 20' ' ' PHE . 44.9 tp -126.86 118.37 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.316 -0.624 . . . . 74.5 109.316 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.4 t-105 -116.76 125.61 28.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.352 -0.385 . . . . 63.34 110.133 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.85 156.04 27.03 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.672 2.248 . . . . 51.42 112.371 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 p -61.98 -15.12 41.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.039 -0.528 . . . . 70.21 111.578 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -70.22 -11.92 61.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.972 -0.558 . . . . 72.31 111.789 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.04 14.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.689 0.281 . . . . 71.31 111.097 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.9 152.65 21.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.396 -0.365 . . . . 73.44 110.596 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.59 120.73 79.19 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.082 -0.508 . . . . 54.22 111.49 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.68 133.95 19.48 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.717 2.278 . . . . 75.04 112.729 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.33 129.48 31.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.648 -0.705 . . . . 52.4 110.733 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.67 -23.83 21.12 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.472 -0.651 . . . . 61.12 111.472 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -107.76 118.99 38.19 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.427 -0.583 . . . . 65.54 109.427 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -100.2 142.03 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 75.23 110.144 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.538 ' HA ' HD23 ' A' ' 23' ' ' LEU . 30.6 t -74.34 112.68 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 42.52 110.453 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -87.71 -36.6 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.308 0.575 . . . . 54.42 109.61 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -130.53 124.77 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.437 -0.801 . . . . 72.55 108.872 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.78 178.37 8.98 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.185 -0.531 . . . . 73.14 112.512 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.66 111.2 0.85 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.312 0.577 . . . . 63.23 110.854 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.44 164.81 27.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.873 -0.603 . . . . 24.11 110.371 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -61.17 151.25 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.552 -0.295 . . . . 62.51 111.192 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.4 tpt180 -47.07 -48.82 22.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 61.4 111.742 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.57 89.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.687 -0.233 . . . . 62.54 111.134 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -60.33 -42.9 96.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.113 0.482 . . . . 73.43 110.406 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.513 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.4 m -61.89 -48.28 81.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.781 -0.645 . . . . 64.42 110.75 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 52' ' ' ARG . 85.5 t -59.01 -48.46 86.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.464 -0.334 . . . . 63.11 111.065 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.63 -44.48 96.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 72.21 110.394 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.17 -47.71 84.79 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.759 -0.655 . . . . 75.13 110.679 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 55' ' ' CYS . 97.9 t . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 116.005 -0.543 . . . . 73.44 110.676 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.258 0 N-CA-C 112.195 -0.362 . . . . 55.12 112.195 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 76.3 mtp -112.29 130.2 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.228 -0.656 . . . . 71.05 109.228 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 32' ' ' LEU . 8.1 m-85 -126.33 159.14 34.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.806 -0.442 . . . . 71.52 109.806 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -111.82 149.62 31.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.708 0.29 . . . . 73.54 110.486 177.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.502 ' O ' HG22 ' A' ' 46' ' ' VAL . 55.5 t -100.83 127.27 54.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.83 -0.804 . . . . 75.34 108.83 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp -114.29 167.4 10.73 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.815 0.341 . . . . 73.02 110.881 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.3 tt -139.08 141.97 34.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 115.572 -0.74 . . . . 72.04 110.241 174.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 47.1 t-20 -103.55 151.58 22.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.83 -1.174 . . . . 75.55 107.83 170.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -47.84 -29.72 3.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.064 0.853 . . . . 61.45 111.925 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 59.6 mm-40 -77.97 32.36 0.17 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.167 -0.469 . . . . 73.21 111.242 175.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HA ' HD11 ' A' ' 24' ' ' ILE . 12.0 mm-40 54.91 24.74 6.08 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.928 0.491 . . . . 74.33 111.705 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.6 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.1 mt-30 -81.65 115.99 21.18 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.29 -0.564 . . . . 74.21 109.964 -174.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -103.21 132.27 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.606 -0.27 . . . . 74.33 110.672 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -151.61 -177.81 6.32 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.583 -0.525 . . . . 53.22 109.583 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 20' ' ' PHE . 52.8 tp -134.0 120.98 20.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.654 -0.248 . . . . 74.5 110.375 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -114.22 135.17 22.15 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.376 -0.375 . . . . 63.34 110.347 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.09 154.6 22.41 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.641 2.227 . . . . 51.42 113.104 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -60.28 -27.68 67.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.869 -0.605 . . . . 70.21 111.617 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -79.44 2.55 21.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.759 -0.655 . . . . 72.31 111.774 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.16 156.99 42.02 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.766 0.317 . . . . 71.31 110.796 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -84.96 139.06 32.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.681 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.64 117.58 29.41 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 123.42 0.45 . . . . 54.22 110.159 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.3 127.86 13.91 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.456 2.104 . . . . 75.04 112.169 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.36 128.35 33.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.08 -0.509 . . . . 52.4 110.22 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.98 -19.31 27.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.644 -0.582 . . . . 61.12 111.644 -174.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -114.66 125.31 53.6 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 65.54 109.515 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -103.62 147.37 27.29 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.136 -0.32 . . . . 75.23 110.136 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.428 HG13 ' HB2' ' A' ' 21' ' ' PHE . 60.0 t -81.35 114.28 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.669 0.271 . . . . 42.52 110.466 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.22 -28.91 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.147 -0.478 . . . . 54.42 110.61 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -131.67 122.56 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.832 -0.803 . . . . 72.55 108.832 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.88 -178.02 6.24 Favored Glycine 0 C--N 1.331 0.257 0 O-C-N 123.572 0.545 . . . . 73.14 113.105 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 2.1 mp0 -55.71 111.4 0.9 Allowed 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.645 -0.502 . . . . 63.23 109.645 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.02 166.42 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 24.11 111.019 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 t -62.74 152.23 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 62.51 110.986 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -49.11 -52.83 23.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.257 -0.883 . . . . 61.4 112.492 -174.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.21 97.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.488 0.185 . . . . 62.54 111.129 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -61.4 -47.48 85.59 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.074 0.464 . . . . 73.43 110.464 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.8 m -59.55 -51.76 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.488 -0.778 . . . . 64.42 110.764 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.93 -38.66 81.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.016 -0.538 . . . . 63.11 110.518 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.84 -44.31 97.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.724 -0.671 . . . . 72.21 110.668 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -62.34 -49.01 77.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.062 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' CYS . 58.0 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 115.942 -0.572 . . . . 73.44 110.627 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.012 -0.435 . . . . 55.12 112.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mtp -81.37 127.73 33.08 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.41 -0.589 . . . . 71.05 109.41 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -118.66 152.1 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.338 -0.392 . . . . 71.52 110.279 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -106.95 148.62 28.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.036 -0.357 . . . . 73.54 110.036 172.818 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.7 t -98.6 123.57 51.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.876 -0.787 . . . . 75.34 108.876 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 45' ' ' VAL . 56.7 mt -103.19 172.0 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.949 0.781 . . . . 73.02 110.641 -175.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 4.1 tt -152.12 161.96 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.139 0.495 . . . . 72.04 111.031 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' HG12 ' A' ' 24' ' ' ILE . 26.7 t-20 -130.97 155.3 47.05 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.764 -1.198 . . . . 75.55 107.764 166.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.448 ' CG ' HH12 ' A' ' 44' ' ' ARG . 18.7 m-20 -55.21 -17.66 4.75 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.966 0.791 . . . . 61.45 112.001 -169.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.31 24.7 0.43 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.026 -0.534 . . . . 73.21 110.571 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 50.91 30.46 5.25 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.441 0.639 . . . . 74.33 110.613 -173.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.598 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 32.5 tt0 -83.75 116.19 22.57 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.299 -0.864 . . . . 74.21 108.754 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -114.84 143.91 44.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.818 0.342 . . . . 74.33 111.707 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -151.69 -177.67 6.25 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.694 -0.685 . . . . 53.22 109.551 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -134.57 134.86 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.941 -0.392 . . . . 74.5 109.941 -175.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.492 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 14.5 t-105 -136.19 139.26 29.49 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-N 116.918 -0.128 . . . . 63.34 111.054 -172.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -83.91 152.98 12.96 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.719 2.28 . . . . 51.42 113.157 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -62.38 -27.21 68.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.476 -0.783 . . . . 70.21 111.701 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -67.67 -13.08 61.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 72.31 111.319 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.0 153.96 46.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.591 0.234 . . . . 71.31 110.457 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.26 152.29 22.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.59 -0.277 . . . . 73.44 110.778 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.1 t -56.01 128.01 70.38 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.801 -0.636 . . . . 54.22 111.39 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.42 142.53 45.27 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 122.843 2.362 . . . . 75.04 112.548 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.17 130.23 25.92 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 52.4 111.328 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.66 18.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.883 -0.599 . . . . 61.12 112.29 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -98.51 156.87 16.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.666 0.233 . . . . 65.54 110.832 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.448 HH12 ' CG ' ' A' ' 26' ' ' ASP . 5.1 ptp180 -138.46 149.52 45.53 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.384 -0.371 . . . . 75.23 110.254 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' HA ' HD23 ' A' ' 23' ' ' LEU . 52.2 t -76.2 133.88 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.484 -0.326 . . . . 42.52 110.809 -177.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -112.87 -39.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.093 -0.706 . . . . 54.42 109.093 172.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.53 121.83 41.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.162 -1.051 . . . . 72.55 108.162 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 178.12 16.04 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.116 -0.564 . . . . 73.14 112.708 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 111.41 0.87 Allowed 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.282 0.563 . . . . 63.23 110.407 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.98 166.76 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.524 -0.762 . . . . 24.11 110.467 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 p -58.44 156.99 9.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 62.51 111.109 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.5 tpt180 -53.15 -52.31 59.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 61.4 111.599 -176.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.99 84.4 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.137 0.421 . . . . 62.54 112.137 -173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 p -59.01 -48.76 80.44 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.228 0.537 . . . . 73.43 110.748 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.7 m -59.39 -48.14 82.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.504 -0.771 . . . . 64.42 110.502 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 52' ' ' ARG . 84.4 t -62.6 -38.52 81.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 115.871 -0.604 . . . . 63.11 110.636 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.41 -43.32 94.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 72.21 110.351 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -62.21 -55.42 28.77 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.356 -0.384 . . . . 75.13 110.369 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 116.009 -0.541 . . . . 73.44 111.332 179.148 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 111.81 -0.516 . . . . 55.12 111.81 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.7 mmm -82.97 127.56 33.65 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.677 -0.86 . . . . 71.05 108.677 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -120.41 157.6 28.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.666 0.269 . . . . 71.52 110.777 -173.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -115.79 149.1 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 73.54 110.007 172.201 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 46' ' ' VAL . 21.7 t -106.02 129.79 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.933 -0.765 . . . . 75.34 108.933 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 45' ' ' VAL . 32.7 mt -107.8 173.73 6.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.847 -0.615 . . . . 73.02 110.875 -173.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.6 tt -147.32 148.54 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-O 121.0 0.429 . . . . 72.04 110.934 172.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.8 t30 -117.92 155.06 30.86 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.224 -1.028 . . . . 75.55 108.224 169.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 28' ' ' GLU . 27.8 m-20 -49.39 -30.2 7.45 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 124.017 0.823 . . . . 61.45 112.419 -168.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.1 mp0 -75.38 31.19 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.881 176.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.529 ' HA ' HD11 ' A' ' 24' ' ' ILE . 41.9 mm-40 49.95 27.04 2.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.436 0.694 . . . . 74.33 111.869 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 98.7 mt-30 -80.21 116.14 20.14 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.459 -0.571 . . . . 74.21 109.459 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -107.45 145.51 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.981 -0.378 . . . . 74.33 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -156.45 171.62 19.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.067 -0.716 . . . . 53.22 109.067 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 HG22 ' A' ' 22' ' ' VAL . 39.0 tp -123.37 130.18 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.675 -0.491 . . . . 74.5 109.675 -175.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.402 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 12.0 t-105 -130.43 135.2 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 63.34 110.393 -174.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -83.07 153.87 14.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.578 2.186 . . . . 51.42 112.711 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -64.41 -12.64 45.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.788 -0.642 . . . . 70.21 111.517 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -82.17 -6.94 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.559 . . . . 72.31 111.692 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.41 37.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.896 0.379 . . . . 71.31 111.401 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.49 141.41 44.92 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.368 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.62 123.55 88.05 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 110.029 -0.36 . . . . 54.22 110.029 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.13 125.73 15.78 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 122.424 2.082 . . . . 75.04 111.745 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.21 128.16 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 52.4 110.581 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.7 -27.56 12.0 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.656 -0.578 . . . . 61.12 111.656 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -98.92 116.13 30.45 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.782 -0.451 . . . . 65.54 109.782 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -95.13 145.6 24.89 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 110.167 -0.308 . . . . 75.23 110.167 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.5 t -76.69 113.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 42.52 110.388 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.09 -32.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.326 0.584 . . . . 54.42 109.614 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -125.17 108.18 11.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.055 -1.091 . . . . 72.55 108.055 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.16 175.0 4.4 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.148 -0.548 . . . . 73.14 112.498 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -55.02 119.34 5.29 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.397 0.618 . . . . 63.23 110.065 -177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.51 166.85 28.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 24.11 110.754 -172.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.9 m -56.29 147.78 20.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.279 -0.873 . . . . 62.51 111.644 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 tpt180 -47.14 -50.14 20.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.884 -1.053 . . . . 61.4 111.661 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.63 82.6 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.008 0.373 . . . . 62.54 112.008 -176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.28 -51.7 66.64 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.394 0.616 . . . . 73.43 110.2 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.3 m -56.97 -45.32 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.246 -0.888 . . . . 64.42 110.389 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 52' ' ' ARG . 75.5 t -63.66 -41.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.423 -0.353 . . . . 63.11 110.857 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.58 -42.8 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.29 -0.414 . . . . 72.21 110.57 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.423 ' HD2' HG11 ' A' ' 22' ' ' VAL . 82.2 t80 -70.41 -45.19 66.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.327 -0.549 . . . . 75.13 110.659 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' CYS . 68.2 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 116.61 -0.268 . . . . 73.44 111.049 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.07 -0.412 . . . . 55.12 112.07 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.432 ' O ' HG23 ' A' ' 35' ' ' THR . 80.3 mtp -96.43 127.63 42.61 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.606 -0.516 . . . . 71.05 109.606 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.403 ' HB2' HD22 ' A' ' 32' ' ' LEU . 3.6 m-85 -129.4 154.56 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.635 -0.506 . . . . 71.52 109.635 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 143.06 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.958 -0.386 . . . . 73.54 109.958 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 46' ' ' VAL . 58.6 t -95.79 128.82 46.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.315 -0.624 . . . . 75.34 109.315 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 45' ' ' VAL . 30.8 mt -114.46 167.03 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 73.02 109.491 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.8 tt -151.37 147.63 15.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.714 0.293 . . . . 72.04 110.42 175.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.562 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.6 t30 -110.87 155.64 22.31 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.75 -0.833 . . . . 75.55 108.75 170.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -58.66 -16.55 16.73 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.026 0.75 . . . . 61.45 113.026 -168.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 10.4 mp0 -83.73 34.04 0.48 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.099 -0.334 . . . . 73.21 110.099 170.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 49.19 30.33 3.0 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.08 0.552 . . . . 74.33 110.928 -177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 93.3 mt-30 -78.79 116.36 19.08 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.724 -0.473 . . . . 74.21 109.724 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -88.09 137.55 32.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.341 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 t -144.74 155.01 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.034 -0.358 . . . . 53.22 110.034 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -132.0 115.14 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.58 -0.896 . . . . 74.5 108.58 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -116.94 128.06 26.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 63.34 110.768 -170.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.51 157.8 36.39 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.593 2.195 . . . . 51.42 112.315 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 19' ' ' MET . 25.2 p -62.51 -14.1 37.93 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.735 -0.666 . . . . 70.21 111.984 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -79.02 0.17 28.78 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.059 -0.519 . . . . 72.31 111.905 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.87 163.38 32.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.851 0.357 . . . . 71.31 111.279 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -93.68 152.32 19.05 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.032 -0.531 . . . . 73.44 110.066 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.33 123.82 67.92 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.986 -0.552 . . . . 54.22 111.384 -177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -65.17 129.85 24.02 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.729 2.286 . . . . 75.04 112.585 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 128.14 19.72 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.322 -0.854 . . . . 52.4 111.157 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -27.96 12.39 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.99 -0.55 . . . . 61.12 111.918 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -95.41 135.58 36.86 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.178 -0.305 . . . . 65.54 110.178 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -102.88 142.54 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.603 -0.517 . . . . 75.23 109.603 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.544 ' HA ' HD23 ' A' ' 23' ' ' LEU . 41.0 t -79.43 112.29 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 42.52 110.6 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -90.46 -32.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.91 0.386 . . . . 54.42 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -138.42 127.01 23.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.098 -0.705 . . . . 72.55 109.098 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.81 174.06 29.6 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.222 -0.513 . . . . 73.14 112.222 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.65 111.06 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.261 0.553 . . . . 63.23 111.429 -177.599 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.46 166.39 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 24.11 109.624 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 t -62.52 164.42 7.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.826 0.346 . . . . 62.51 111.146 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.4 tpp180 -50.35 -52.51 36.42 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.79 -0.641 . . . . 61.4 111.945 -175.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.73 76.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.516 -0.311 . . . . 62.54 111.618 -173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -55.22 -47.5 75.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.462 0.648 . . . . 73.43 110.18 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 59' ' ' VAL . 76.0 m -61.91 -49.31 76.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.112 -0.949 . . . . 64.42 111.04 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' ARG . 83.1 t -59.72 -44.77 94.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.787 0.327 . . . . 63.11 110.818 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -47.65 84.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.035 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -61.19 -45.97 92.38 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.474 -0.785 . . . . 75.13 110.372 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 55' ' ' CYS . 95.5 t . . . . . 0 C--O 1.235 0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.508 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.202 -0.359 . . . . 55.12 112.202 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.1 mmm -92.57 126.99 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.882 -0.785 . . . . 71.05 108.882 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.7 m-85 -131.37 153.45 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 110.092 -0.336 . . . . 71.52 110.092 -177.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -105.53 154.43 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.523 -0.308 . . . . 73.54 110.343 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 46' ' ' VAL . 48.3 t -107.45 123.7 62.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.787 -0.82 . . . . 75.34 108.787 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 45' ' ' VAL . 39.1 mt -100.33 172.56 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.337 -0.847 . . . . 73.02 110.288 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 28' ' ' GLU . 11.3 tt -144.49 136.92 22.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 72.04 110.319 175.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 17.6 t30 -99.97 152.86 19.7 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.916 -1.142 . . . . 75.55 107.916 167.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -61.55 -4.26 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.997 0.74 . . . . 61.45 112.997 -166.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 43.3 mm-40 -90.74 24.57 2.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.45 -0.574 . . . . 73.21 109.45 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' ILE . 5.3 mm-40 56.57 28.28 13.67 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.905 0.882 . . . . 74.33 111.578 -174.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 53.4 mt-30 -78.07 116.75 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.21 110.503 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -85.04 152.78 23.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 74.33 110.022 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -166.4 135.62 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.665 -0.495 . . . . 53.22 109.665 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 20' ' ' PHE . 38.9 tp -93.69 122.63 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 74.5 110.088 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -122.87 128.88 25.21 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.181 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.43 155.58 24.9 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.735 2.29 . . . . 51.42 112.915 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -62.13 -20.57 64.21 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.656 -0.702 . . . . 70.21 111.389 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -78.07 -5.55 51.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 72.31 111.633 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.33 173.52 7.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 71.31 111.388 -176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -103.27 139.68 38.39 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.33 -0.396 . . . . 73.44 110.53 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.81 115.65 20.55 Favored Pre-proline 0 CA--C 1.535 0.368 0 O-C-N 123.47 0.481 . . . . 54.22 110.072 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.5 136.57 40.01 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.526 2.151 . . . . 75.04 112.362 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.42 128.32 33.76 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.641 -0.709 . . . . 52.4 110.78 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.75 -28.32 11.63 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.383 -0.687 . . . . 61.12 111.383 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -97.8 131.19 44.53 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.617 -0.512 . . . . 65.54 109.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -114.4 145.63 41.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.051 -0.351 . . . . 75.23 110.051 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.7 t -73.0 117.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 42.52 110.514 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -96.3 -35.54 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.255 0.55 . . . . 54.42 109.558 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.31 120.46 34.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.576 -0.898 . . . . 72.55 108.576 -176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.89 166.95 26.87 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.307 -0.473 . . . . 73.14 112.405 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.473 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.8 pt-20 -55.38 111.13 0.81 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.235 0.54 . . . . 63.23 110.337 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.44 167.04 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 24.11 111.034 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -54.49 145.23 18.98 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.867 -0.606 . . . . 62.51 111.085 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.3 tpt180 -47.73 -44.02 27.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.4 -0.818 . . . . 61.4 111.892 -175.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 62.54 111.771 -174.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.0 m -63.43 -44.55 94.23 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.587 0.708 . . . . 73.43 109.999 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.498 ' HB3' HD13 ' A' ' 32' ' ' LEU . 28.7 m -59.22 -48.48 81.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.125 -0.943 . . . . 64.42 110.398 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -60.96 -40.9 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.128 -0.487 . . . . 63.11 110.131 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.07 -43.73 78.25 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.542 -0.753 . . . . 72.21 110.533 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.468 ' CE2' HG21 ' A' ' 46' ' ' VAL . 67.0 t80 -70.49 -53.15 17.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.453 -0.339 . . . . 75.13 111.447 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 55' ' ' CYS . 93.7 t . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 120.878 0.371 . . . . 73.44 111.125 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.835 -0.106 . . . . 55.12 112.835 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.8 mmm -95.83 127.33 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.482 -0.933 . . . . 71.05 108.482 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' HD11 ' A' ' 32' ' ' LEU . 6.5 m-85 -131.91 163.19 28.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.9 -0.408 . . . . 71.52 109.9 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.501 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.45 149.49 30.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.919 -0.4 . . . . 73.54 109.919 175.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.413 ' C ' HD12 ' A' ' 23' ' ' LEU . 97.0 t -99.73 127.46 52.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 109.516 -0.55 . . . . 75.34 109.516 -177.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.4 mp -115.76 167.76 10.65 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.163 0.506 . . . . 73.02 110.631 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 28' ' ' GLU . 7.3 tt -145.94 148.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.419 -0.81 . . . . 72.04 109.676 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -103.78 152.24 22.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.027 -1.101 . . . . 75.55 108.027 169.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.0 t70 -54.18 -25.78 24.46 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.062 0.851 . . . . 61.45 112.157 -168.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.21 16.49 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.211 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.548 ' HA ' HD11 ' A' ' 24' ' ' ILE . 41.5 mt-10 61.78 34.71 17.11 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.844 0.857 . . . . 74.33 110.803 -177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.485 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -87.32 118.58 26.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.5 -0.773 . . . . 74.21 109.722 -179.479 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -84.97 138.9 32.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 74.33 111.355 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 p -149.97 175.41 11.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.39 -0.368 . . . . 53.22 110.875 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 21' ' ' PHE . 51.5 tp -141.26 132.26 26.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.474 -0.565 . . . . 74.5 109.474 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -127.65 134.43 26.18 Favored Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 122.865 0.103 . . . . 63.34 110.824 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -79.49 154.78 24.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.832 2.355 . . . . 51.42 112.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.408 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 18.0 p -62.34 -25.84 68.12 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.923 -0.58 . . . . 70.21 111.868 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.0 -9.8 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.832 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.26 150.37 48.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.665 0.269 . . . . 71.31 110.632 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.31 152.82 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.34 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.4 t -55.66 122.69 47.18 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 123.757 0.661 . . . . 54.22 110.897 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.62 123.87 9.8 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.52 2.147 . . . . 75.04 112.178 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.56 128.88 24.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.462 -0.79 . . . . 52.4 110.532 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.7 20.91 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.905 -0.588 . . . . 61.12 112.315 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -108.9 150.86 27.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.759 0.279 . . . . 65.54 110.321 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -121.32 139.78 52.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.823 -0.436 . . . . 75.23 109.823 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -83.61 113.74 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.704 0.288 . . . . 42.52 111.086 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -89.81 -34.13 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.374 0.607 . . . . 54.42 110.723 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.82 119.94 26.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 72.55 108.311 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.8 -176.52 2.36 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 121.262 -0.495 . . . . 73.14 112.303 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 131.04 44.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.421 0.629 . . . . 63.23 111.496 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.61 163.54 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.222 -0.899 . . . . 24.11 109.634 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 p -57.16 140.48 49.4 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.659 0.266 . . . . 62.51 110.523 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -47.49 -40.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.611 -0.722 . . . . 61.4 111.233 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.77 79.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.76 -0.2 . . . . 62.54 111.059 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -60.96 -40.15 92.25 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.274 0.559 . . . . 73.43 109.768 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' HG23 ' A' ' 59' ' ' VAL . 41.3 m -58.15 -51.92 67.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.396 -0.82 . . . . 64.42 110.493 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.48 -37.3 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.858 -0.61 . . . . 63.11 110.842 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.06 -45.44 94.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 72.21 110.112 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -64.48 -50.52 67.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.593 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 55' ' ' CYS . 85.8 t . . . . . 0 CA--C 1.53 0.202 0 CA-C-N 116.408 -0.36 . . . . 73.44 110.577 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 111.344 -0.702 . . . . 55.12 111.344 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mmm -87.81 127.08 35.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.256 -0.646 . . . . 71.05 109.256 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.3 153.7 47.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.557 -0.535 . . . . 71.52 109.557 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.59 153.77 24.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.883 0.373 . . . . 73.54 110.851 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 46' ' ' VAL . 58.6 t -105.7 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.891 -0.781 . . . . 75.34 108.891 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.7 mt -112.29 174.12 6.04 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.975 0.797 . . . . 73.02 110.498 -175.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.7 tt -151.51 145.26 16.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.33 -0.395 . . . . 72.04 110.754 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 27.8 t-20 -106.8 158.88 16.65 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.265 -0.425 . . . . 75.55 109.88 174.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 m-20 -38.62 -44.87 1.02 Allowed 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.862 1.351 . . . . 61.45 112.858 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -75.58 26.2 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 73.21 111.03 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' A' ' 24' ' ' ILE . 44.5 mt-10 52.26 44.51 29.69 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.714 0.769 . . . . 74.33 109.973 -177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 99.4 mt-30 -91.61 115.62 28.2 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.037 -0.983 . . . . 74.21 109.165 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -88.48 149.53 23.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 74.33 110.596 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -159.46 169.71 23.31 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.608 -0.516 . . . . 53.22 109.608 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.69 132.21 48.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.483 -0.562 . . . . 74.5 109.483 -176.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -135.53 128.4 18.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 63.34 110.055 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 91.4 Cg_endo -83.22 155.9 14.68 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.702 2.268 . . . . 51.42 112.628 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 p -59.84 -24.88 64.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.873 -0.603 . . . . 70.21 111.445 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.4 ' HD2' ' HB2' ' A' ' 34' ' ' PRO . 29.5 m-85 -70.34 -8.96 54.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.519 -0.764 . . . . 72.31 111.292 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.51 156.65 38.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.67 0.271 . . . . 71.31 110.411 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.27 136.14 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 73.44 110.478 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -55.28 116.96 12.9 Favored Pre-proline 0 CA--C 1.536 0.427 0 O-C-N 123.368 0.417 . . . . 54.22 110.947 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 131.02 16.96 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.626 2.217 . . . . 75.04 112.727 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.87 128.32 34.5 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.993 -0.549 . . . . 52.4 110.218 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.45 -17.94 30.58 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.65 -0.58 . . . . 61.12 111.65 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -115.34 101.47 8.95 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.423 -0.584 . . . . 65.54 109.423 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -84.29 148.46 26.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.293 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.527 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.4 t -76.72 131.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 42.52 110.808 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -114.49 -29.72 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.06 0.457 . . . . 54.42 110.304 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.1 t80 -135.72 116.09 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.839 -0.8 . . . . 72.55 108.839 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.33 172.72 9.16 Favored Glycine 0 CA--C 1.52 0.385 0 O-C-N 123.366 0.416 . . . . 73.14 112.788 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.21 117.39 3.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.29 0.567 . . . . 63.23 111.32 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.32 166.16 25.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.444 -0.798 . . . . 24.11 110.237 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -54.91 146.37 17.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.809 0.338 . . . . 62.51 111.085 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.5 tpt180 -47.39 -49.04 25.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.584 -0.734 . . . . 61.4 111.734 -176.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.8 75.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.533 -0.303 . . . . 62.54 111.599 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -66.16 -42.61 88.77 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.201 0.524 . . . . 73.43 110.445 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.42 ' O ' HG23 ' A' ' 59' ' ' VAL . 23.1 m -64.73 -44.22 90.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 64.42 110.255 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 52' ' ' ARG . 85.9 t -63.42 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.09 0 CA-C-N 116.009 -0.542 . . . . 63.11 110.302 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -57.0 -49.47 75.67 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.78 -0.645 . . . . 72.21 110.149 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -62.4 -53.55 53.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.286 -0.87 . . . . 75.13 110.646 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 55' ' ' CYS . 84.8 t . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 116.242 -0.435 . . . . 73.44 111.429 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 111.771 -0.532 . . . . 55.12 111.771 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.6 mtp -97.45 127.73 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.733 -0.469 . . . . 71.05 109.733 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.17 159.45 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HD2' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.02 149.78 28.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.396 0.141 . . . . 73.54 110.674 178.73 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.5 t -99.52 125.58 53.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 109.752 -0.462 . . . . 75.34 109.752 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -109.94 170.79 7.84 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.996 0.81 . . . . 73.02 110.466 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.554 HD11 ' HA ' ' A' ' 28' ' ' GLU . 7.2 tt -153.61 154.92 6.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-N 116.046 -0.525 . . . . 72.04 110.587 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 29' ' ' GLN . 56.7 t30 -127.41 156.22 42.41 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.771 -0.826 . . . . 75.55 108.771 171.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 28' ' ' GLU . 16.7 t70 -45.52 -28.33 0.91 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.53 0.937 . . . . 61.45 113.53 -166.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -78.01 27.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.272 -0.268 . . . . 73.21 110.661 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HA ' HD11 ' A' ' 24' ' ' ILE . 34.9 mm-40 47.98 28.61 1.48 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.469 0.652 . . . . 74.33 110.577 -169.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 60.1 tp60 -70.44 115.67 9.89 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.235 -0.893 . . . . 74.21 108.672 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -98.2 133.86 42.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.317 . . . . 74.33 110.863 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.3 t -141.22 163.93 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.384 -0.599 . . . . 53.22 109.384 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.89 115.37 12.71 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.288 -0.634 . . . . 74.5 109.288 -178.386 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -113.8 133.83 22.19 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.405 -0.118 . . . . 63.34 110.711 -174.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.7 155.54 24.04 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.857 2.372 . . . . 51.42 112.785 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 p -61.83 -24.75 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 70.21 111.468 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -78.31 4.52 12.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 72.31 111.877 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.02 153.64 46.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.119 -0.326 . . . . 71.31 110.119 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.18 152.57 21.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.911 0.386 . . . . 73.44 111.354 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.35 124.79 79.75 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.273 -0.876 . . . . 54.22 111.695 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.44 123.93 11.42 Favored 'Trans proline' 0 C--O 1.243 0.737 0 C-N-CA 122.607 2.205 . . . . 75.04 111.783 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.43 128.24 22.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.326 -0.852 . . . . 52.4 111.312 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.89 -28.09 11.88 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.78 -0.646 . . . . 61.12 111.678 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -94.65 131.3 40.58 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.845 -0.428 . . . . 65.54 109.845 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -104.19 136.54 43.6 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 110.073 -0.343 . . . . 75.23 110.073 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.3 125.18 38.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.312 -0.404 . . . . 42.52 110.398 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -100.29 -36.93 5.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.273 0.558 . . . . 54.42 110.528 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -123.47 121.99 37.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.628 -0.879 . . . . 72.55 108.628 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.29 178.6 6.34 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 121.051 -0.595 . . . . 73.14 112.413 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 1.1 pm0 -55.34 120.09 6.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.564 0.697 . . . . 63.23 110.86 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.37 166.49 24.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 24.11 109.734 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.37 141.05 58.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.569 . . . . 62.51 109.462 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.4 tmt_? -47.87 -39.21 18.11 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.428 0.455 . . . . 61.4 111.307 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.97 91.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.482 -0.326 . . . . 62.54 111.363 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -69.87 -40.42 75.75 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.627 0.727 . . . . 73.43 109.404 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.485 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 m -57.56 -51.07 70.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.121 -0.945 . . . . 64.42 110.016 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.4 t -63.63 -34.58 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 CA-C-N 115.844 -0.616 . . . . 63.11 110.388 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.42 -44.32 84.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.118 -0.492 . . . . 72.21 109.782 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -68.52 -54.56 15.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.271 -0.422 . . . . 75.13 110.92 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.8 t . . . . . 0 N--CA 1.466 0.372 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.851 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 N-CA-C 111.414 -0.674 . . . . 55.12 111.414 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.1 mmm -88.91 127.25 35.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 71.05 109.437 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 32' ' ' LEU . 4.0 m-85 -129.89 149.83 51.45 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.13 146.86 30.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.622 0.249 . . . . 73.54 111.131 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.2 t -98.02 125.72 51.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 109.189 -0.671 . . . . 75.34 109.189 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.4 mt -108.49 169.35 8.7 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.854 0.721 . . . . 73.02 110.241 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.1 tt -148.19 150.97 13.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.076 0.465 . . . . 72.04 111.271 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 56.4 t30 -119.71 153.94 34.87 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.333 -0.988 . . . . 75.55 108.333 168.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 28' ' ' GLU . 33.2 m-20 -53.17 -23.42 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.231 0.826 . . . . 61.45 113.231 -166.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 1.5 mp0 -75.56 19.96 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.76 0.314 . . . . 73.21 110.851 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 24' ' ' ILE . 30.3 mt-10 59.48 26.55 15.53 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.406 0.682 . . . . 74.33 110.505 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.575 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 97.6 mt-30 -76.57 115.93 16.78 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.17 -1.048 . . . . 74.21 108.17 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -123.68 143.16 50.43 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.185 -0.302 . . . . 74.33 110.185 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.4 t -163.04 172.94 14.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.771 -0.826 . . . . 53.22 108.771 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 20' ' ' PHE . 40.8 tp -118.59 133.83 55.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.044 -0.525 . . . . 74.5 110.216 -174.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -129.16 130.6 23.39 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.041 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.81 154.1 19.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.609 2.206 . . . . 51.42 112.979 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 p -63.62 -20.11 65.41 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.76 -0.655 . . . . 70.21 111.585 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -76.44 -2.32 31.47 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.134 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.65 161.8 26.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.621 -0.263 . . . . 71.31 110.538 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -96.14 152.6 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.331 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -76.5 124.68 87.97 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.001 -0.545 . . . . 54.22 110.921 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.03 126.45 15.2 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.606 2.204 . . . . 75.04 111.934 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.02 128.49 37.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.753 -0.658 . . . . 52.4 110.633 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 -27.99 11.44 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.534 -0.626 . . . . 61.12 111.534 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -93.85 129.52 40.23 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.424 -0.584 . . . . 65.54 109.424 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -107.71 141.77 38.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 75.23 110.596 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.531 ' HA ' HD23 ' A' ' 23' ' ' LEU . 26.7 t -74.11 115.19 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.824 -0.625 . . . . 42.52 110.294 -178.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -88.38 -35.4 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.214 0.53 . . . . 54.42 109.645 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -132.7 123.54 26.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.306 -0.861 . . . . 72.55 109.194 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.81 175.52 7.68 Favored Glycine 0 C--N 1.333 0.396 0 O-C-N 123.663 0.602 . . . . 73.14 112.599 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -57.29 111.99 1.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.102 0.477 . . . . 63.23 110.858 -178.455 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.34 165.56 25.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.801 -0.636 . . . . 24.11 110.382 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.8 t -59.28 154.52 16.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 62.51 111.052 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.3 tpt180 -47.47 -48.5 26.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.505 -0.77 . . . . 61.4 111.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.1 82.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.433 -0.349 . . . . 62.54 111.69 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -60.86 -45.59 93.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.131 0.491 . . . . 73.43 110.635 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' HB3' HD13 ' A' ' 32' ' ' LEU . 56.0 m -62.85 -42.97 99.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 64.42 110.832 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 52' ' ' ARG . 73.3 t -62.6 -43.75 98.77 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.038 0 CA-C-N 116.342 -0.39 . . . . 63.11 110.324 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.38 -46.73 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.819 -0.628 . . . . 72.21 110.31 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -62.35 -54.96 32.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.504 -0.771 . . . . 75.13 110.474 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.0 t . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.94 -0.573 . . . . 73.44 111.491 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.626 0 N-CA-C 111.776 -0.53 . . . . 55.12 111.776 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 83.1 mtp -72.81 127.6 33.02 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.348 -0.612 . . . . 71.05 109.348 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 9.4 m-85 -128.7 161.89 28.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.463 -0.569 . . . . 71.52 109.463 -178.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.6 150.82 28.42 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.44 -0.207 . . . . 73.54 110.44 177.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.4 t -99.3 126.01 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 108.752 -0.833 . . . . 75.34 108.752 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.1 mp -115.75 170.24 8.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.107 0.48 . . . . 73.02 111.004 -175.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.5 tt -143.89 136.57 23.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.364 -0.834 . . . . 72.04 110.002 173.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.3 t30 -94.42 153.58 17.88 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.649 -0.871 . . . . 75.55 108.649 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 28' ' ' GLU . 6.5 m-20 -63.85 -9.24 13.92 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.919 0.762 . . . . 61.45 111.314 -171.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 47.1 mt-10 -80.72 18.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 73.21 109.556 169.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HA ' HD11 ' A' ' 24' ' ' ILE . 57.0 mt-10 59.82 31.16 20.64 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.544 0.738 . . . . 74.33 110.052 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 96.6 mt-30 -92.17 116.22 28.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.545 -0.752 . . . . 74.21 110.008 -176.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -96.49 136.94 36.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.465 . . . . 74.33 109.743 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -157.63 -177.83 6.88 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.827 0.346 . . . . 53.22 110.255 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 21' ' ' PHE . 58.3 tp -134.31 125.24 27.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 74.5 109.882 -174.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -119.15 136.38 24.39 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 110.355 -0.239 . . . . 63.34 110.355 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 97.1 Cg_endo -79.21 154.22 24.95 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.788 2.326 . . . . 51.42 113.478 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -61.71 -31.87 72.05 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.356 -0.838 . . . . 70.21 111.121 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.96 -14.73 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.436 -0.802 . . . . 72.31 111.948 -175.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.03 157.76 26.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.72 0.295 . . . . 71.31 111.002 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.97 148.8 25.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.863 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.45 124.13 81.52 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.872 -0.604 . . . . 54.22 111.132 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 43' ' ' TRP . 58.0 Cg_endo -72.93 132.01 17.75 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.574 2.183 . . . . 75.04 112.199 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.79 128.19 31.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.96 -0.564 . . . . 52.4 110.992 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.31 -27.99 15.16 Favored Glycine 0 N--CA 1.453 -0.18 0 N-CA-C 111.54 -0.624 . . . . 61.12 111.54 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 74.9 m95 -96.74 114.13 25.75 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.834 -0.432 . . . . 65.54 109.834 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -99.28 138.21 36.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.175 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.8 t -73.79 125.32 32.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-N 116.29 -0.414 . . . . 42.52 110.705 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -103.12 -31.85 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.148 0.499 . . . . 54.42 110.197 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -129.47 124.08 33.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.154 -1.054 . . . . 72.55 108.154 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.35 -172.55 8.87 Favored Glycine 0 CA--C 1.518 0.252 0 O-C-N 123.526 0.516 . . . . 73.14 113.107 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -54.94 113.13 1.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.184 -0.302 . . . . 63.23 110.184 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.15 165.43 27.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 24.11 110.744 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 p -66.03 150.51 48.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.831 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.8 tpt180 -47.66 -49.84 26.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.165 -0.47 . . . . 61.4 111.592 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.6 73.07 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.827 0.346 . . . . 62.54 111.632 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -59.96 -49.76 76.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.587 0.708 . . . . 73.43 110.33 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.418 ' HB3' HD13 ' A' ' 32' ' ' LEU . 34.9 m -57.76 -45.56 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.816 -1.084 . . . . 64.42 110.466 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 52' ' ' ARG . 72.1 t -59.26 -47.95 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.461 -0.791 . . . . 63.11 110.763 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.56 -46.67 88.23 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.349 -0.387 . . . . 72.21 110.788 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.15 -55.8 30.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.769 0.319 . . . . 75.13 110.39 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 CA--C 1.534 0.351 0 CA-C-N 116.095 -0.502 . . . . 73.44 111.187 176.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.79 0 N-CA-C 111.299 -0.72 . . . . 55.12 111.299 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.0 mtp -78.27 128.23 33.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 71.05 109.68 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -124.58 161.9 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.789 -0.449 . . . . 71.52 109.789 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -114.94 149.67 36.92 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.218 -0.29 . . . . 73.54 110.218 176.146 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.9 t -101.67 131.49 49.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.424 -0.584 . . . . 75.34 109.424 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.0 mp -118.02 165.57 13.58 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.444 0.465 . . . . 73.02 110.791 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.4 tt -142.7 153.16 17.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.794 -0.639 . . . . 72.04 110.043 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.38 147.7 48.05 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.368 -0.975 . . . . 75.55 108.368 172.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.73 -32.5 0.6 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.832 1.049 . . . . 61.45 113.832 -167.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -79.79 34.38 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.794 0.33 . . . . 73.21 111.129 176.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 53.92 28.27 8.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.807 -0.633 . . . . 74.33 112.108 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.516 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.5 mt-30 -83.78 115.97 22.48 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.156 -0.683 . . . . 74.21 109.156 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -109.16 137.33 47.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.085 -0.507 . . . . 74.33 109.792 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 t -146.07 -178.32 6.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.112 -0.494 . . . . 53.22 109.689 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -142.29 115.26 8.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.37 -0.604 . . . . 74.5 109.37 -174.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -113.91 134.64 22.08 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.467 -0.333 . . . . 63.34 110.153 -173.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.03 153.24 25.0 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.602 2.202 . . . . 51.42 112.733 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -61.45 -21.75 64.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.527 -0.761 . . . . 70.21 111.166 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.39 1.54 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 72.31 111.025 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.21 155.74 48.78 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.391 -0.368 . . . . 71.31 110.217 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -92.42 149.78 21.2 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.774 0.321 . . . . 73.44 110.604 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.78 129.3 92.92 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.679 -0.691 . . . . 54.22 111.926 -173.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.15 129.31 18.02 Favored 'Trans proline' 0 C--O 1.243 0.748 0 C-N-CA 122.772 2.315 . . . . 75.04 112.028 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.04 128.09 20.65 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.619 -0.719 . . . . 52.4 111.334 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.28 -28.56 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.733 -0.667 . . . . 61.12 112.16 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -88.0 124.65 33.95 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.973 -0.38 . . . . 65.54 109.973 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -101.33 132.89 46.66 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.692 0.282 . . . . 75.23 110.54 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 21' ' ' PHE . 64.7 t -74.31 113.45 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 42.52 110.623 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -88.16 -37.35 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 54.42 110.241 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.5 t80 -124.65 117.05 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.981 -0.748 . . . . 72.55 108.981 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.71 174.99 6.42 Favored Glycine 0 C--N 1.333 0.399 0 O-C-N 123.557 0.536 . . . . 73.14 112.5 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 122.11 10.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.474 0.654 . . . . 63.23 111.375 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.2 166.9 25.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 24.11 110.504 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.8 t -58.09 138.26 56.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 62.51 110.532 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.92 -49.45 30.04 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.801 -0.636 . . . . 61.4 111.883 -173.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.34 90.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.624 0.25 . . . . 62.54 111.071 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -60.22 -40.19 89.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.332 -0.395 . . . . 73.43 110.414 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.403 ' HB3' HD21 ' A' ' 32' ' ' LEU . 60.2 m -61.82 -49.18 77.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.034 -0.53 . . . . 64.42 110.797 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 52' ' ' ARG . 90.5 t -62.1 -41.87 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.98 -0.555 . . . . 63.11 110.61 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.2 -31.65 72.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 72.21 110.426 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -64.24 -50.31 68.49 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 N--CA 1.467 0.403 0 CA-C-N 115.96 -0.564 . . . . 73.44 110.621 175.137 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 111.592 -0.603 . . . . 55.12 111.592 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mmm -89.36 127.42 35.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.424 -0.584 . . . . 71.05 109.424 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -131.29 154.78 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.082 -0.71 . . . . 71.52 109.082 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -107.09 157.36 17.9 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.846 0.355 . . . . 73.54 111.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 59' ' ' VAL . 84.5 t -105.58 128.17 59.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 108.925 -0.769 . . . . 75.34 108.925 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.0 mt -110.63 173.83 6.15 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.946 0.778 . . . . 73.02 110.554 -176.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.552 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.7 tt -147.74 147.3 17.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.287 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 60.6 t30 -115.0 155.48 26.87 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.407 -0.96 . . . . 75.55 108.407 167.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.6 t70 -53.2 -16.45 1.23 Allowed 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.998 0.811 . . . . 61.45 111.463 -174.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 32.6 mt-10 -75.26 19.98 0.16 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.643 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 26' ' ' ASP . 10.2 mm-40 52.96 26.03 4.42 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.299 0.571 . . . . 74.33 110.337 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.552 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 6.5 mm-40 -76.69 116.21 17.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 74.21 111.004 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -85.14 137.97 32.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.237 -0.892 . . . . 74.33 109.878 176.506 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -155.56 162.42 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.854 0.359 . . . . 53.22 110.083 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -129.31 128.61 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.78 -0.822 . . . . 74.5 108.78 -177.023 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -130.22 129.74 22.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.758 -0.201 . . . . 63.34 110.634 -172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.13 154.65 22.3 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.363 2.042 . . . . 51.42 112.639 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -63.79 -11.38 26.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.725 -0.671 . . . . 70.21 111.874 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -80.1 -3.44 48.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.369 -0.378 . . . . 72.31 111.413 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.83 165.81 25.07 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.689 0.28 . . . . 71.31 110.907 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.83 152.5 20.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.56 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.81 119.87 76.78 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.237 -0.438 . . . . 54.22 110.342 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.36 132.18 28.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.625 2.217 . . . . 75.04 112.682 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.73 35.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.844 -0.617 . . . . 52.4 110.915 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.96 -28.07 11.03 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 111.13 -0.788 . . . . 61.12 111.13 -175.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -101.57 143.53 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.927 -0.768 . . . . 65.54 108.927 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -121.15 151.92 39.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.097 -0.335 . . . . 75.23 110.097 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.547 ' HA ' HD23 ' A' ' 23' ' ' LEU . 42.5 t -76.03 127.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 42.52 109.777 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -105.15 -34.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.707 -0.479 . . . . 54.42 109.707 176.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -127.85 128.29 44.95 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.45 -0.944 . . . . 72.55 108.45 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 173.76 25.64 Favored Glycine 0 C--N 1.33 0.242 0 O-C-N 123.505 0.503 . . . . 73.14 112.85 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.59 110.93 0.97 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.327 0.584 . . . . 63.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.79 166.78 23.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.286 -0.87 . . . . 24.11 110.781 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -53.35 154.37 3.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.37 0.605 . . . . 62.51 111.881 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.5 tpt180 -50.33 -52.4 37.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.31 -0.859 . . . . 61.4 111.737 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.85 75.98 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.996 0.369 . . . . 62.54 111.996 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.1 m -57.23 -47.45 81.31 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.552 0.691 . . . . 73.43 110.154 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.502 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 m -59.97 -49.28 78.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.015 -0.993 . . . . 64.42 111.16 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 52' ' ' ARG . 76.1 t -58.9 -40.58 80.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.038 0.447 . . . . 63.11 110.609 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.03 -45.47 92.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.548 -0.751 . . . . 72.21 110.739 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -67.36 -39.09 85.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.93 0.395 . . . . 75.13 110.424 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG22 HG13 ' A' ' 22' ' ' VAL . 81.0 t . . . . . 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 73.44 110.244 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.595 -0.202 . . . . 55.12 112.595 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' THR . 69.3 mtp -102.45 127.62 49.41 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.921 -0.77 . . . . 71.05 108.921 174.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HD22 ' A' ' 32' ' ' LEU . 3.2 m-85 -131.74 159.12 39.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.866 -0.42 . . . . 71.52 109.866 -176.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.457 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -107.7 151.51 25.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.731 0.301 . . . . 73.54 110.892 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.5 t -100.54 126.95 54.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 N-CA-C 109.105 -0.702 . . . . 75.34 109.105 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 45' ' ' VAL . 62.4 mt -113.92 168.21 9.99 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.639 0.587 . . . . 73.02 110.194 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 28' ' ' GLU . 11.9 tt -143.02 131.22 19.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.301 174.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.574 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 59.1 t30 -92.53 154.69 18.29 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.862 -0.792 . . . . 75.55 108.862 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 28' ' ' GLU . 4.3 t70 -53.89 -26.62 25.91 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.958 0.786 . . . . 61.45 112.581 -166.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.0 mp0 -77.96 30.53 0.17 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.588 0.232 . . . . 73.21 110.618 174.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' ILE . 29.4 mm-40 53.07 29.73 8.53 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.129 0.572 . . . . 74.33 111.677 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.5 mt-30 -82.44 115.52 21.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.293 -0.632 . . . . 74.21 109.293 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -103.4 131.98 50.04 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.11 -0.495 . . . . 74.33 109.773 -175.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -155.11 -177.79 6.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.014 -0.736 . . . . 53.22 109.014 -172.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.0 135.85 45.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.989 -0.551 . . . . 74.5 109.77 -169.069 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -133.05 131.48 21.87 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.537 -0.302 . . . . 63.34 110.261 -172.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.06 155.7 26.14 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.599 2.2 . . . . 51.42 112.886 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' MET . 17.8 p -59.91 -25.53 65.19 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.607 -0.724 . . . . 70.21 111.675 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.68 -11.04 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.502 -0.772 . . . . 72.31 111.739 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.1 156.57 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 71.31 111.259 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.49 152.63 21.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.972 -0.558 . . . . 73.44 110.347 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -70.63 117.22 53.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.601 . . . . 54.22 111.066 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.63 132.1 22.82 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.537 2.158 . . . . 75.04 111.838 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.83 128.08 34.91 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.034 -0.53 . . . . 52.4 110.695 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.9 -28.36 12.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.756 -0.656 . . . . 61.12 111.564 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -97.45 97.29 8.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.672 -0.492 . . . . 65.54 109.672 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -87.06 143.08 27.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.807 -0.633 . . . . 75.23 110.583 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.511 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.6 t -71.85 129.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 42.52 110.875 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -106.8 -35.04 2.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 54.42 109.782 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.3 132.77 39.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.683 -0.858 . . . . 72.55 108.683 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 177.96 43.42 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.021 -0.609 . . . . 73.14 112.615 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.42 117.5 3.62 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.855 0.359 . . . . 63.23 110.975 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.14 166.77 25.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 24.11 110.337 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -54.14 137.49 40.33 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.267 0.354 . . . . 62.51 111.011 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -44.02 43.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.427 -0.806 . . . . 61.4 111.768 -172.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.71 95.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.707 0.289 . . . . 62.54 111.51 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 m -65.35 -42.36 92.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.393 0.616 . . . . 73.43 109.641 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.5 m -56.76 -51.82 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.041 -0.981 . . . . 64.42 110.501 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.2 -39.37 82.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.005 -0.543 . . . . 63.11 110.71 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -58.04 -47.4 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 72.21 109.964 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -66.29 -46.05 78.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.05 -0.523 . . . . 75.13 110.598 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 55' ' ' CYS . 98.6 t . . . . . 0 N--CA 1.467 0.381 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.721 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 112.019 -0.432 . . . . 55.12 112.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.3 mtp -105.53 127.73 53.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 6.6 m-85 -128.84 157.4 41.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.663 -0.495 . . . . 71.52 109.663 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -110.84 154.29 24.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.717 0.294 . . . . 73.54 111.056 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.4 t -107.77 122.32 61.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.683 -0.858 . . . . 75.34 108.683 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' CD2' HG22 ' A' ' 45' ' ' VAL . 35.3 mt -100.01 174.76 6.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.361 -0.836 . . . . 73.02 110.236 -176.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 28' ' ' GLU . 8.4 tt -153.21 144.48 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 72.04 110.819 173.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -102.72 147.07 27.29 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.98 -1.489 . . . . 75.55 106.98 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.05 -8.31 3.23 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.025 0.828 . . . . 61.45 112.07 -166.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.649 ' HG3' ' HG3' ' A' ' 29' ' ' GLN . 11.6 pt-20 -87.28 26.12 1.27 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.783 -0.644 . . . . 73.21 109.871 169.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.546 ' HA ' HD11 ' A' ' 24' ' ' ILE . 49.0 mt-10 62.93 23.35 13.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.119 -0.946 . . . . 74.33 111.586 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.649 ' HG3' ' HG3' ' A' ' 27' ' ' GLU . 16.9 mt-30 -85.88 116.3 24.04 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.286 -0.565 . . . . 74.21 110.089 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -98.34 155.25 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.27 -0.423 . . . . 74.33 109.955 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.0 t -160.11 147.85 16.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.948 -0.76 . . . . 53.22 108.948 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.59 117.54 34.43 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.567 -0.531 . . . . 74.5 109.567 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -120.89 135.36 24.71 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.183 -0.462 . . . . 63.34 110.275 -173.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -87.63 155.17 7.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.612 2.208 . . . . 51.42 113.011 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 p -58.42 -24.64 60.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.828 -0.623 . . . . 70.21 111.694 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -68.34 -24.38 64.81 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.719 -0.673 . . . . 72.31 112.133 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.09 160.66 17.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.618 0.247 . . . . 71.31 111.284 -174.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.88 145.21 25.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.483 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.45 132.28 87.72 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.092 -0.504 . . . . 54.22 111.432 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.35 123.63 10.43 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.535 2.157 . . . . 75.04 112.146 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.49 128.26 22.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.644 -0.707 . . . . 52.4 110.942 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.14 15.04 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 116.038 -0.528 . . . . 61.12 111.793 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -97.55 125.36 42.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.657 -0.497 . . . . 65.54 109.657 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -100.43 143.03 31.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.412 -0.218 . . . . 75.23 110.412 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG22 ' CD2' ' A' ' 23' ' ' LEU . 60.5 t -72.03 116.05 13.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 110.072 -0.344 . . . . 42.52 110.072 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -92.3 -38.38 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 54.42 109.588 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.45 28.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.239 -1.023 . . . . 72.55 108.239 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.02 171.11 10.14 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.077 -0.582 . . . . 73.14 112.398 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.6 pt-20 -55.4 111.47 0.89 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.349 0.595 . . . . 63.23 110.159 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.14 167.41 21.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.134 -0.939 . . . . 24.11 110.489 -174.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.4 p -51.09 137.88 20.94 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.989 -0.55 . . . . 62.51 111.092 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 tpt85 -47.69 -43.17 26.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.634 -0.712 . . . . 61.4 112.3 -174.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.31 84.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 62.54 111.644 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 m -59.1 -46.98 86.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.407 0.622 . . . . 73.43 110.363 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . 24.2 m -59.62 -47.09 86.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.025 -0.989 . . . . 64.42 110.551 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 52' ' ' ARG . 81.5 t -58.74 -42.6 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.315 -0.402 . . . . 63.11 110.597 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -60.05 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 72.21 110.474 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -67.56 -39.71 84.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 75.13 110.936 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.6 t . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.527 -0.306 . . . . 73.44 111.394 174.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 111.644 -0.582 . . . . 55.12 111.644 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -91.1 127.36 36.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -126.91 149.66 49.69 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.777 -0.453 . . . . 71.52 109.777 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.28 153.58 19.85 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.944 0.402 . . . . 73.54 111.278 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 59' ' ' VAL . 58.8 t -103.78 127.93 57.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.183 -0.673 . . . . 75.34 109.183 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 45' ' ' VAL . 38.6 mt -114.12 170.13 8.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.641 -0.709 . . . . 73.02 110.214 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 28' ' ' GLU . 6.4 tt -151.02 144.81 16.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 120.965 0.412 . . . . 72.04 110.858 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 52.9 t30 -98.05 151.93 19.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.094 -1.076 . . . . 75.55 108.094 166.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 28' ' ' GLU . 17.5 t70 -63.33 -14.5 50.6 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.776 0.673 . . . . 61.45 110.494 -169.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -78.3 25.13 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.246 -0.888 . . . . 73.21 110.441 173.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.513 ' HA ' HD11 ' A' ' 24' ' ' ILE . 57.5 mm-40 53.42 37.96 26.8 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.254 0.622 . . . . 74.33 111.661 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 96.7 mt-30 -98.11 115.86 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.134 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -88.49 146.82 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 74.33 110.781 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 t -153.47 169.65 22.65 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.116 -0.328 . . . . 53.22 110.116 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.83 131.26 35.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.053 -0.721 . . . . 74.5 109.053 -176.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -134.45 135.89 24.68 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 123.092 0.245 . . . . 63.34 110.425 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -83.23 154.79 14.45 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.873 2.382 . . . . 51.42 112.9 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -60.96 -21.11 63.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.636 -0.711 . . . . 70.21 111.678 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -75.81 4.46 7.97 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.909 -0.587 . . . . 72.31 111.868 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.7 169.08 18.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.687 0.28 . . . . 71.31 111.145 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.37 147.43 23.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.355 -0.384 . . . . 73.44 109.999 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.68 122.26 73.01 Favored Pre-proline 0 CA--C 1.534 0.358 0 O-C-N 123.449 0.468 . . . . 54.22 110.623 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.65 134.22 40.03 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.428 2.086 . . . . 75.04 112.703 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.13 128.8 28.97 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 52.4 110.973 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -28.44 14.79 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.885 -0.598 . . . . 61.12 111.825 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -94.9 125.77 39.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.655 -0.498 . . . . 65.54 109.655 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.4 145.35 30.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 75.23 110.658 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.54 ' HA ' HD23 ' A' ' 23' ' ' LEU . 29.8 t -76.68 122.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.835 -0.62 . . . . 42.52 110.656 -177.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -100.62 -31.75 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.187 0.517 . . . . 54.42 110.042 177.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.11 131.7 35.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.796 -0.816 . . . . 72.55 108.796 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.02 179.72 13.17 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.142 -0.551 . . . . 73.14 112.301 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.22 110.62 1.27 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.929 0.395 . . . . 63.23 110.028 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . . . -134.18 167.01 21.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.918 -0.583 . . . . 24.11 111.103 -173.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.7 p -53.88 150.32 7.78 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.465 -0.789 . . . . 62.51 111.321 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 tpt180 -52.62 -52.53 54.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.627 -0.715 . . . . 61.4 111.495 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.76 76.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.364 -0.38 . . . . 62.54 111.759 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -57.9 -47.73 81.95 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.052 0.453 . . . . 73.43 110.421 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.556 ' O ' HG23 ' A' ' 59' ' ' VAL . 85.0 m -60.98 -48.14 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.441 -0.799 . . . . 64.42 111.128 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 52' ' ' ARG . 77.2 t -57.18 -48.74 81.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.712 0.292 . . . . 63.11 110.824 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.62 -47.4 86.37 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.515 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -63.04 -42.81 99.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.13 110.57 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.631 HG22 HG13 ' A' ' 22' ' ' VAL . 63.5 t . . . . . 0 C--O 1.235 0.322 0 CA-C-N 116.014 -0.539 . . . . 73.44 110.638 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.063 -0.415 . . . . 54.31 112.063 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -78.0 168.02 22.67 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.805 2.337 . . . . 55.43 111.657 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.66 134.27 2.74 Favored Glycine 0 C--O 1.237 0.325 0 C-N-CA 120.863 -0.684 . . . . 63.2 112.462 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -82.17 149.42 27.94 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.995 -0.372 . . . . 64.22 109.995 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 mmt -83.13 -14.97 52.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.393 . . . . 62.22 110.339 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.69 125.23 28.2 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.187 -0.461 . . . . 72.41 110.323 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.4 pt -87.13 2.79 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.083 -0.508 . . . . 74.52 111.45 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.6 mmm -68.43 128.16 35.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.375 -0.375 . . . . 64.41 111.538 -175.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 p -97.02 29.42 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.32 0.581 . . . . 52.44 109.918 175.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.578 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 21.3 t70 -70.81 168.63 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.372 -0.831 . . . . 71.14 110.937 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -108.1 83.78 1.94 Allowed Pre-proline 0 CA--C 1.532 0.257 0 C-N-CA 122.735 0.414 . . . . 72.51 110.69 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 58.3 Cg_endo -101.77 -8.89 0.24 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.202 2.602 . . . . 75.11 113.238 176.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -94.71 -13.09 26.09 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.731 0.3 . . . . 73.14 111.256 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -115.35 18.13 16.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 64.53 111.247 -176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -81.05 112.97 18.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.821 -0.437 . . . . 71.14 109.821 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.532 ' HB3' ' HE ' ' A' ' 52' ' ' ARG . 9.2 pt-20 -64.29 -13.48 50.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.468 . . . . 72.15 110.859 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.19 -18.4 62.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.521 -0.763 . . . . 74.54 110.167 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.78 156.72 22.6 Favored Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.518 -0.633 . . . . 55.12 111.518 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -97.39 129.92 44.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.727 -0.472 . . . . 71.05 109.727 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -120.77 161.52 21.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.586 -0.279 . . . . 71.52 110.537 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.7 149.86 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 73.54 110.53 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.439 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.0 t -99.19 125.11 52.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 109.02 -0.733 . . . . 75.34 109.02 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.5 mt -108.9 168.97 8.97 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.885 0.74 . . . . 73.02 110.197 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.4 tt -146.84 148.56 16.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.118 -0.492 . . . . 72.04 110.456 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 38.3 t-20 -114.43 150.05 35.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.297 -1.371 . . . . 75.55 107.297 168.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.14 -18.72 4.04 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.267 0.839 . . . . 61.45 113.267 -168.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 4.9 mp0 -81.44 29.26 0.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.943 -0.391 . . . . 73.21 109.943 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' HA ' HD11 ' A' ' 24' ' ' ILE . 29.2 mm-40 49.84 35.65 9.74 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.488 0.715 . . . . 74.33 111.386 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.535 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 30.6 mm-40 -83.81 116.21 22.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.722 . . . . 74.21 109.11 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -106.93 143.78 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.225 -0.287 . . . . 74.33 110.225 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 t -154.75 162.93 40.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.641 . . . . 53.22 109.268 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.1 tp -119.15 116.96 27.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 74.5 109.848 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -114.15 135.67 22.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 63.34 110.189 -171.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -84.37 154.35 12.33 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.902 2.401 . . . . 51.42 112.954 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -14.9 60.19 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.833 -0.622 . . . . 70.21 111.269 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -79.51 0.8 28.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.028 -0.533 . . . . 72.31 111.162 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.67 152.83 49.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 71.31 110.431 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -84.71 148.54 26.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.884 -0.413 . . . . 73.44 109.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 120.04 57.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 54.22 110.6 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.43 129.59 21.74 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.714 2.276 . . . . 75.04 112.573 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.55 34.25 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.833 -0.621 . . . . 52.4 110.636 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -19.97 27.51 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 111.468 -0.653 . . . . 61.12 111.468 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -111.43 130.86 55.57 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.831 -0.433 . . . . 65.54 109.831 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 44' ' ' ARG . 12.3 ptm180 -108.03 144.65 35.07 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.645 0.26 . . . . 75.23 110.345 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.519 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.0 t -75.66 113.41 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 42.52 110.654 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -89.43 -32.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.96 0.41 . . . . 54.42 110.016 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -131.21 121.57 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 72.55 108.743 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.53 173.94 11.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.354 -0.451 . . . . 73.14 112.719 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.02 115.0 1.97 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.058 0.456 . . . . 63.23 110.981 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.61 166.6 24.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 24.11 109.976 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 m -55.98 139.38 46.68 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 110.235 -0.283 . . . . 62.51 110.235 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HE ' ' HB3' ' A' ' 16' ' ' GLU . 5.2 tmm_? -47.7 -34.65 8.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.534 0.568 . . . . 61.4 112.534 -170.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.12 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.851 0.315 . . . . 62.54 111.851 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -64.88 -42.35 94.89 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.285 -0.635 . . . . 73.43 109.285 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.8 m -55.69 -53.47 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.06 -0.973 . . . . 64.42 110.579 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.042 -0.527 . . . . 63.11 111.016 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 35.4 tt0 -58.49 -43.1 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.141 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -65.62 -54.38 28.55 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.03 -0.532 . . . . 75.13 110.755 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' CYS . 74.1 t -53.34 -42.81 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.935 0.398 . . . . 73.44 110.878 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.36 -26.55 68.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.529 -0.76 . . . . 75.12 111.422 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 70.1 mm-40 -95.63 -23.33 17.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.411 -0.359 . . . . 74.24 111.16 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.4 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 47.5 t-80 -92.34 13.9 18.04 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.505 0.557 . . . . 73.44 112.505 -170.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -53.17 -51.49 61.88 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.744 -0.465 . . . . 75.22 109.744 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p 49.52 21.37 0.59 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.928 . . . . 62.45 113.485 172.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 68.32 115.95 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.327 0.584 . . . . 73.45 111.169 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.631 HG22 ' HD2' ' A' ' 68' ' ' PRO . 48.1 mt -75.75 148.38 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.79 -0.641 . . . . 55.33 111.525 -172.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.461 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 80.4 mtp180 -74.33 -61.89 1.11 Allowed Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.986 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 66' ' ' ILE . 57.4 Cg_endo -69.46 129.64 18.27 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 121.848 1.699 . . . . 54.14 112.317 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -83.64 106.17 15.15 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.271 -0.422 . . . . 61.4 110.812 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.3 t -110.41 147.04 34.81 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.001 0.429 . . . . 33.04 110.537 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 71' ' ' LEU . 1.6 pt? -121.86 1.74 9.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 51.23 109.954 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -93.06 128.36 38.92 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.337 -0.616 . . . . 54.12 109.337 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.08 163.89 29.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.006 0.431 . . . . 70.21 111.489 -175.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -96.77 -60.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.894 -0.78 . . . . 75.42 108.894 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.547 ' HG ' ' H ' ' A' ' 77' ' ' SER . 42.6 tp -166.44 146.18 5.91 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.395 -0.82 . . . . 72.41 109.136 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.53 -3.61 44.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.918 0.34 . . . . 72.54 111.918 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.547 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 52.3 m -151.77 -176.48 5.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.62 0.248 . . . . 75.32 110.534 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.11 148.56 10.48 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.325 -0.464 . . . . 74.32 112.001 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -141.51 165.06 28.53 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 110.312 -0.255 . . . . 65.34 110.312 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.86 -0.967 . . . . 64.22 111.726 -178.593 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.111 -0.396 . . . . 54.31 112.111 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.04 12.45 2.01 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.073 2.515 . . . . 55.43 112.782 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.85 45.06 1.37 Allowed Glycine 0 C--N 1.33 0.234 0 N-CA-C 111.923 -0.471 . . . . 63.2 111.923 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.6 p -76.57 87.56 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.991 0.424 . . . . 64.22 110.491 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.7 ttt -75.43 96.39 3.44 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.104 -0.498 . . . . 62.22 110.396 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -95.75 -34.19 12.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.984 -0.553 . . . . 72.41 110.401 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.5 mt -104.7 128.35 58.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.714 -0.675 . . . . 74.52 110.282 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -80.08 73.64 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.27 0.557 . . . . 64.41 110.556 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 m -75.04 163.07 27.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.772 -0.649 . . . . 52.44 110.724 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -94.27 169.76 10.0 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.404 -0.362 . . . . 71.14 110.183 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.643 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 93.8 m-20 -105.15 127.37 28.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.572 -0.529 . . . . 72.51 109.572 173.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -71.01 -3.14 12.23 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.745 2.297 . . . . 75.11 112.361 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 27.2 p90 -118.39 14.69 13.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.968 -0.56 . . . . 73.14 110.975 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.643 ' HB2' ' HB2' ' A' ' 11' ' ' ASN . 27.7 t70 -107.44 28.41 8.15 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.226 0.536 . . . . 64.53 110.95 -173.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -82.99 151.79 25.7 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.101 -0.374 . . . . 71.14 110.715 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.18 -31.7 67.52 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.15 -0.477 . . . . 72.15 111.601 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.43 -22.5 61.84 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.014 -0.539 . . . . 74.54 111.502 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.47 122.69 6.87 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.636 -0.792 . . . . 55.12 111.263 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.0 mtp -74.58 127.62 33.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.726 -0.472 . . . . 71.05 109.726 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 52' ' ' ARG . 7.5 m-85 -126.13 169.91 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 71.52 110.1 -177.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.519 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -120.86 159.48 25.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.833 0.349 . . . . 73.54 110.765 175.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 46' ' ' VAL . 30.7 t -108.13 127.91 63.98 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.341 -0.985 . . . . 75.34 108.341 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 45' ' ' VAL . 67.1 mt -105.72 173.41 6.32 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.727 0.642 . . . . 73.02 111.016 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 10.9 tt -149.4 154.91 8.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.537 174.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.565 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.8 t-20 -125.26 150.19 47.29 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.64 -1.245 . . . . 75.55 107.64 168.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.24 -13.72 5.69 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.098 0.874 . . . . 61.45 112.969 -167.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.712 ' HG3' ' HG2' ' A' ' 29' ' ' GLN . 4.3 pt-20 -90.42 35.14 0.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.821 -0.807 . . . . 73.21 108.821 168.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' ASN . 36.0 mt-10 56.21 24.15 7.79 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 114.486 -1.234 . . . . 74.33 111.784 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.712 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 78.0 mm-40 -70.34 156.5 39.22 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.342 -0.614 . . . . 74.21 109.342 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -144.35 153.21 41.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.269 -0.271 . . . . 74.33 110.269 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 t -173.58 146.34 1.31 Allowed 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.916 -0.772 . . . . 53.22 108.916 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.98 115.48 30.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.165 -0.68 . . . . 74.5 109.165 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -115.06 134.11 22.57 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.585 -0.28 . . . . 63.34 110.39 -172.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -82.73 154.74 15.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.682 2.255 . . . . 51.42 113.393 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 p -62.17 -21.2 64.88 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.459 -0.791 . . . . 70.21 111.151 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 13' ' ' PHE . 21.6 m-85 -80.17 6.55 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.388 -0.824 . . . . 72.31 111.17 -176.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.49 153.28 43.5 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.141 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.66 150.72 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.601 -0.272 . . . . 73.44 110.875 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.68 119.85 69.14 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-N 115.75 -0.659 . . . . 54.22 110.411 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.81 133.94 38.37 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.482 2.121 . . . . 75.04 112.202 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.46 128.24 33.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.052 -0.522 . . . . 52.4 110.381 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.85 -18.26 29.28 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.702 -0.559 . . . . 61.12 111.702 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -111.35 144.49 40.46 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.567 -0.531 . . . . 65.54 109.567 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -122.34 150.41 42.43 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.957 -0.386 . . . . 75.23 109.957 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.8 t -79.9 118.66 27.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 42.52 110.385 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' VAL . 4.3 m -95.23 -34.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.187 0.518 . . . . 54.42 109.864 176.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -125.4 113.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.836 -0.802 . . . . 72.55 108.836 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.98 -178.87 6.93 Favored Glycine 0 CA--C 1.52 0.4 0 O-C-N 123.463 0.477 . . . . 73.14 113.335 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 1.8 mp0 -55.14 119.02 4.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 122.57 0.348 . . . . 63.23 110.762 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.95 166.77 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 24.11 110.462 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.6 t -59.86 155.57 16.09 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.718 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.1 tpt180 -53.02 -49.62 65.91 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.945 -0.571 . . . . 61.4 111.422 -174.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.72 67.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.874 0.369 . . . . 62.54 111.664 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -67.44 -48.95 65.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.475 0.655 . . . . 73.43 110.111 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' VAL . 36.0 m -59.53 -48.71 80.59 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 64.42 110.307 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.2 t -60.44 -40.66 84.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.617 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.69 -47.15 86.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.984 -0.553 . . . . 72.21 110.176 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -64.08 -43.56 95.05 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.784 -0.366 . . . . 75.13 110.941 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 55' ' ' CYS . 71.9 t -53.39 -42.39 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.918 0.389 . . . . 73.44 110.173 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.3 -39.36 92.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.796 -0.638 . . . . 75.12 110.706 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -66.59 -25.4 66.6 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.94 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -87.74 10.86 16.9 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.372 -0.376 . . . . 73.44 110.749 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -59.91 -11.5 5.72 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.851 0.461 . . . . 75.22 111.959 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -84.34 17.87 2.42 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.445 -0.343 . . . . 62.45 111.445 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HB2' ' HB3' ' A' ' 28' ' ' GLU . 9.3 p-10 -79.76 137.14 36.92 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.647 -0.251 . . . . 73.45 110.455 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -95.95 -45.68 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.145 0.497 . . . . 55.33 111.954 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 51.0 mtp180 65.37 85.84 0.15 Allowed Pre-proline 0 C--N 1.31 -1.148 0 CA-C-N 115.03 -0.987 . . . . 74.24 111.008 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.23 -15.29 49.43 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.783 2.322 . . . . 54.14 112.22 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -155.68 146.5 22.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.329 -0.396 . . . . 61.4 111.216 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 m -141.97 134.31 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.511 -0.922 . . . . 33.04 108.511 171.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 71' ' ' LEU . 6.8 mp -97.78 158.68 15.38 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.854 0.359 . . . . 51.23 111.594 -171.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -50.59 -43.25 56.54 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.359 -0.837 . . . . 54.12 111.911 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -108.98 25.94 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.227 0.537 . . . . 70.21 110.991 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' HD3' ' HG3' ' A' ' 29' ' ' GLN . 39.1 ttmt -128.53 84.1 2.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.777 -0.823 . . . . 75.42 108.777 172.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 75' ' ' LEU . 1.9 pt? -153.93 136.06 14.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.869 -0.605 . . . . 72.41 110.022 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -117.9 104.76 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 72.54 110.59 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 p -83.15 84.85 7.32 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.002 0.43 . . . . 75.32 109.999 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.91 -170.15 40.53 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.889 -0.596 . . . . 74.32 111.714 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 19.4 mp0 -91.48 85.66 5.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.367 . . . . 65.34 110.122 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 N-CA-C 111.007 -0.837 . . . . 64.22 111.007 179.197 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.837 -0.505 . . . . 54.31 111.837 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -79.78 39.07 0.79 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.921 2.414 . . . . 55.43 112.348 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.29 -30.0 73.4 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 116.086 -0.506 . . . . 63.2 112.682 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.8 t -88.99 -12.34 41.73 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 122.859 -0.201 . . . . 64.22 110.668 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 51.0 tpp -74.76 78.32 2.07 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.268 0.556 . . . . 62.22 110.075 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -105.78 39.03 1.85 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.475 -0.784 . . . . 72.41 110.533 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 pt -125.42 159.67 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.445 -0.798 . . . . 74.52 109.307 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.0 mtm 68.2 13.97 9.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.144 0.497 . . . . 64.41 110.524 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.8 m -102.82 150.53 23.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.864 -0.607 . . . . 52.44 110.134 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -62.08 154.03 28.13 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.864 -0.421 . . . . 71.14 109.864 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -137.07 143.15 40.92 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.575 0.226 . . . . 72.51 110.964 -173.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.56 16.82 1.88 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 122.917 2.411 . . . . 75.11 113.46 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -118.42 8.48 12.14 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.963 0.411 . . . . 73.14 110.845 176.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -83.35 -24.23 32.16 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.019 -0.537 . . . . 64.53 109.815 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.47 134.51 54.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.353 -0.84 . . . . 71.14 110.77 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -88.85 -22.4 23.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.902 0.382 . . . . 72.15 110.799 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -91.73 -21.25 20.83 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.97 -0.559 . . . . 74.54 110.983 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.11 139.4 32.44 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.968 -0.634 . . . . 55.12 111.612 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' THR . 47.6 mtp -90.18 127.5 36.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.331 -0.618 . . . . 71.05 109.331 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' HB2' HD11 ' A' ' 32' ' ' LEU . 4.9 m-85 -128.64 161.62 29.23 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.552 -0.536 . . . . 71.52 109.552 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.13 147.17 34.19 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.627 0.251 . . . . 73.54 110.916 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 46' ' ' VAL . 92.0 t -96.74 129.11 47.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.328 -0.619 . . . . 75.34 109.328 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 45' ' ' VAL . 44.5 mt -113.13 169.99 8.54 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.866 -0.606 . . . . 73.02 110.279 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.4 tt -147.69 148.26 16.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.412 -0.358 . . . . 72.04 110.742 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.2 t30 -119.78 155.29 32.81 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.484 -0.932 . . . . 75.55 108.484 169.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 28' ' ' GLU . 36.6 t70 -50.5 -31.19 14.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.287 0.847 . . . . 61.45 113.287 -165.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.722 ' HA ' ' HB3' ' A' ' 68' ' ' PRO . 2.1 mp0 -74.57 29.51 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 122.19 -0.319 . . . . 73.21 111.124 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 26' ' ' ASP . 78.8 mm-40 50.37 32.52 6.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 122.666 0.386 . . . . 74.33 111.187 -173.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.0 mt-30 -72.47 115.65 11.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.679 -1.23 . . . . 74.21 107.679 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -108.41 131.93 54.27 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.918 -0.771 . . . . 74.33 108.918 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -154.15 178.02 10.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.122 0.487 . . . . 53.22 110.762 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 20' ' ' PHE . 42.2 tp -133.72 136.24 44.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.331 -0.849 . . . . 74.5 109.484 -174.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -132.09 131.49 22.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 110.419 -0.215 . . . . 63.34 110.419 -174.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 87.5 Cg_endo -77.97 155.82 30.29 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.594 2.196 . . . . 51.42 113.11 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 19' ' ' MET . 18.5 p -64.59 -13.95 55.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.798 -0.637 . . . . 70.21 111.322 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -77.12 -17.89 58.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.966 -0.561 . . . . 72.31 111.645 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.9 175.19 5.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.66 0.267 . . . . 71.31 111.214 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -107.35 152.61 23.92 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.089 -0.505 . . . . 73.44 110.713 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.94 122.92 84.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.942 -0.572 . . . . 54.22 110.819 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.92 133.39 29.05 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.61 2.207 . . . . 75.04 111.892 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.16 128.43 24.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.78 -0.646 . . . . 52.4 111.066 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.79 -28.2 12.89 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.052 -0.522 . . . . 61.12 111.908 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -95.01 134.09 38.07 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 110.321 -0.252 . . . . 65.54 110.321 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -109.56 150.3 28.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.205 -0.295 . . . . 75.23 110.205 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' A' ' 23' ' ' LEU . 36.3 t -81.83 114.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 42.52 110.524 -178.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -90.61 -32.08 5.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.175 0.512 . . . . 54.42 110.017 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.96 125.39 26.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.909 -0.774 . . . . 72.55 108.909 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.5 176.16 14.74 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.336 -0.459 . . . . 73.14 112.317 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -55.34 111.19 0.82 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.435 0.636 . . . . 63.23 111.343 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.53 166.76 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.253 -0.885 . . . . 24.11 109.746 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -53.62 132.87 41.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.306 -0.406 . . . . 62.51 109.952 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.449 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.62 -38.76 15.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.814 -0.63 . . . . 61.4 111.403 -172.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.61 84.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.794 -0.184 . . . . 62.54 111.369 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -60.36 -39.99 89.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.51 0.672 . . . . 73.43 109.484 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.3 m -62.63 -47.07 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.866 -1.061 . . . . 64.42 110.777 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 52' ' ' ARG . 86.4 t -64.56 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 116.223 -0.444 . . . . 63.11 110.373 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -56.58 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.723 177.274 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.37 -56.96 15.15 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.554 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 63' ' ' TRP . 64.1 t -52.98 -53.1 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.906 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -51.68 -47.21 63.95 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.736 -0.666 . . . . 75.12 111.948 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 83.0 mt-30 -67.71 -47.84 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.432 -0.349 . . . . 74.24 111.493 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -90.34 2.32 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 73.44 111.21 -174.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.489 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 67.9 t90 -70.62 -30.86 67.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.699 -0.228 . . . . 75.22 110.99 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.3 m -63.86 -27.29 69.06 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.094 -0.503 . . . . 62.45 111.707 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.44 88.61 6.99 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.561 -0.291 . . . . 73.45 110.796 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 71.8 mt -135.92 129.0 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.18 -0.464 . . . . 55.33 110.139 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.614 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . 18.1 ttp180 166.27 86.94 0.02 OUTLIER Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 123.648 0.779 . . . . 74.24 109.487 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 74.2 Cg_endo -77.08 98.24 1.21 Allowed 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.707 2.271 . . . . 54.14 113.188 177.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm 73.5 -47.68 0.66 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.854 0.862 . . . . 61.4 113.184 169.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -79.53 -169.58 1.98 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.75 0.785 . . . . 33.04 113.083 -163.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.8 tp -72.43 -53.71 11.43 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.537 -1.21 . . . . 51.23 112.288 -170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NH2' ' HB3' ' A' ' 76' ' ' ALA . 46.9 ttt180 -95.81 147.91 23.15 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.372 -0.376 . . . . 54.12 110.799 -171.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.614 ' HA ' ' HB2' ' A' ' 67' ' ' ARG . 2.5 mp0 -74.25 -72.29 0.29 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.296 0.57 . . . . 70.21 110.593 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -125.49 164.18 21.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.33 -0.85 . . . . 75.42 109.964 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 76' ' ' ALA . 3.4 tm? -64.89 139.2 58.74 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.342 -0.985 . . . . 72.41 108.342 172.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . . . -146.74 98.15 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.959 0.409 . . . . 72.54 111.024 -174.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.2 p -75.18 -49.21 20.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.597 -0.729 . . . . 75.32 109.564 173.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 143.37 173.99 15.33 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.379 -0.828 . . . . 74.32 111.735 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -111.31 -29.25 7.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.401 . . . . 65.34 110.079 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.92 0 CA-C-O 118.362 -1.243 . . . . 64.22 112.022 178.284 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.241 -0.343 . . . . 54.31 112.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.99 98.07 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.351 2.034 . . . . 55.43 111.276 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.14 -28.25 49.97 Favored Glycine 0 C--N 1.332 0.345 0 N-CA-C 111.767 -0.533 . . . . 63.2 111.767 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 p -86.76 144.51 27.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.941 -0.392 . . . . 64.22 109.941 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 51.1 ttm -146.16 133.23 20.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.22 -0.289 . . . . 62.22 110.22 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.552 ' H ' ' HD3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -133.17 134.8 44.6 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.657 -0.497 . . . . 72.41 109.657 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.7 pt -94.34 134.66 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.324 -0.398 . . . . 74.52 110.906 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.0 mtp -78.49 94.25 4.91 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.535 -0.543 . . . . 64.41 109.535 175.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -142.75 139.64 31.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.218 -0.446 . . . . 52.44 110.536 -178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.95 145.55 55.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 71.14 110.862 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -101.07 112.49 65.03 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 72.51 109.415 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -62.96 -11.44 24.62 Favored 'Trans proline' 0 N--CA 1.479 0.62 0 C-N-CA 123.04 2.493 . . . . 75.11 113.384 -173.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -95.96 15.06 21.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.87 0.367 . . . . 73.14 111.225 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.467 ' HA ' HH12 ' A' ' 52' ' ' ARG . 7.4 p-10 -74.94 -0.25 18.03 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.408 -0.36 . . . . 64.53 111.206 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -86.02 -175.91 5.75 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.723 -0.473 . . . . 71.14 109.723 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -134.84 3.54 3.23 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.536 0.684 . . . . 72.15 112.338 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.67 -17.68 62.85 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 114.863 -1.062 . . . . 74.54 111.671 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.58 163.66 15.89 Favored Glycine 0 C--O 1.234 0.136 0 C-N-CA 120.997 -0.621 . . . . 55.12 111.926 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.8 mtp -86.84 142.37 28.12 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.695 -0.854 . . . . 71.05 108.695 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 32' ' ' LEU . 12.2 m-85 -128.55 152.71 47.98 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.24 -0.184 . . . . 71.52 110.509 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 35' ' ' THR . 0.2 OUTLIER -107.43 147.55 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.889 -0.412 . . . . 73.54 109.889 171.544 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.524 ' O ' HG22 ' A' ' 46' ' ' VAL . 57.2 t -97.55 122.82 49.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 109.16 -0.681 . . . . 75.34 109.16 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.7 mt -109.53 160.22 16.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.602 -0.726 . . . . 73.02 109.808 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.9 tt -134.97 128.59 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.711 -0.477 . . . . 72.04 109.711 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.618 HD21 ' HB3' ' A' ' 74' ' ' LYS . 28.3 t-20 -77.18 147.94 36.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.99 -1.115 . . . . 75.55 107.99 173.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 28' ' ' GLU . 7.7 t70 -54.51 -26.12 29.75 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.066 0.854 . . . . 61.45 110.522 -173.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.651 ' HA ' ' HB3' ' A' ' 68' ' ' PRO . 1.5 mp0 -72.65 21.11 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.399 -0.819 . . . . 73.21 111.266 172.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 47.4 mt-10 61.3 29.25 18.54 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.267 0.627 . . . . 74.33 110.754 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.518 ' HA ' HG12 ' A' ' 66' ' ' ILE . 88.1 mt-30 -89.85 125.1 35.21 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.763 -0.375 . . . . 74.21 110.705 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -84.47 142.15 30.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.209 -0.293 . . . . 74.33 110.209 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 p -155.18 162.71 40.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.438 . . . . 53.22 111.142 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 20' ' ' PHE . 31.5 tp -128.6 129.92 46.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.637 -0.875 . . . . 74.5 108.637 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -129.88 135.55 27.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.239 -0.282 . . . . 63.34 110.239 -172.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -79.23 151.74 23.51 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.682 2.255 . . . . 51.42 113.139 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 15.0 p -59.12 -30.57 68.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.341 -0.845 . . . . 70.21 112.093 -177.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.8 -25.34 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.842 -0.617 . . . . 72.31 111.069 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.83 147.91 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.582 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -87.23 149.62 24.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 73.44 110.45 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.14 121.57 78.94 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.04 -0.527 . . . . 54.22 110.902 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.29 131.93 18.55 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.653 2.236 . . . . 75.04 112.494 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.54 128.39 31.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.918 -0.583 . . . . 52.4 111.205 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 -23.41 21.32 Favored Glycine 0 N--CA 1.454 -0.165 0 N-CA-C 110.984 -0.846 . . . . 61.12 110.984 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CZ3' ' HB2' ' A' ' 25' ' ' ASN . 59.3 m95 -103.64 122.26 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.855 -0.795 . . . . 65.54 108.855 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -100.86 143.77 30.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.16 -0.311 . . . . 75.23 110.16 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.537 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.2 t -75.43 123.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 42.52 110.345 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.3 m -101.67 -34.52 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.598 -0.519 . . . . 54.42 109.598 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.84 120.22 19.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.487 -0.931 . . . . 72.55 108.487 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.26 -178.68 7.28 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.226 -0.511 . . . . 73.14 112.598 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.72 114.72 1.81 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.175 0.512 . . . . 63.23 110.673 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -140.94 166.96 23.36 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.633 -0.712 . . . . 24.11 110.462 -175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.5 t -62.46 152.91 33.08 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.721 -0.672 . . . . 62.51 111.082 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.4 tpt180 -47.31 -52.66 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.782 -1.099 . . . . 61.4 112.638 -176.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.96 79.28 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.0 0.37 . . . . 62.54 112.0 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 m -56.6 -47.29 79.9 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.401 0.62 . . . . 73.43 110.209 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' HG23 ' A' ' 59' ' ' VAL . 61.9 m -61.68 -51.35 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.996 -1.002 . . . . 64.42 111.001 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 52' ' ' ARG . 76.4 t -58.37 -44.33 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 120.948 0.404 . . . . 63.11 110.674 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 72.21 110.521 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.38 -46.29 87.17 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.472 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 55' ' ' CYS . 86.4 t -55.49 -44.99 78.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.733 175.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.32 -38.81 81.24 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.978 -0.556 . . . . 75.12 111.167 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.76 -36.8 84.23 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.327 0.584 . . . . 74.24 110.606 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -94.55 13.98 22.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.81 -0.632 . . . . 73.44 111.603 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -48.61 -61.62 1.93 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.015 0.436 . . . . 75.22 109.892 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.9 m -96.34 93.28 6.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.924 -0.58 . . . . 62.45 109.507 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -156.83 2.0 0.13 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.961 -0.563 . . . . 73.45 111.013 -176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' A' ' 29' ' ' GLN . 54.0 mt -93.65 117.29 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 119.275 -0.393 . . . . 55.33 111.338 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.718 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 2.5 mmp_? -170.79 70.09 0.53 Allowed Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 122.979 0.511 . . . . 74.24 110.825 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.651 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 19.6 Cg_endo -59.84 -36.41 90.99 Favored 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 122.865 2.377 . . . . 54.14 112.077 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 69.33 -9.37 0.63 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.974 0.731 . . . . 61.4 112.974 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.0 p -84.35 16.52 3.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.802 0.334 . . . . 33.04 111.304 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.9 mt 64.74 12.96 8.07 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.034 0.533 . . . . 51.23 111.061 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.518 ' NE ' ' HA ' ' A' ' 72' ' ' ARG . 3.0 mmp_? -96.46 136.18 37.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 54.12 109.786 174.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -151.7 89.98 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.584 -0.895 . . . . 70.21 108.584 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.618 ' HB3' HD21 ' A' ' 25' ' ' ASN . 4.0 ttmp? -78.79 122.7 26.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.325 -0.398 . . . . 75.42 110.705 -176.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.2 tp -72.32 136.74 46.3 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.371 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.9 122.52 28.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.745 -0.661 . . . . 72.54 110.422 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 t -150.25 164.26 36.19 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.591 -0.522 . . . . 75.32 109.591 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.9 -50.5 0.47 Allowed Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.038 -0.601 . . . . 74.32 112.348 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 60.33 30.5 19.87 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.849 0.357 . . . . 65.34 110.942 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.783 -1.009 . . . . 64.22 112.343 -178.829 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.728 -0.549 . . . . 54.31 111.728 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.65 131.86 15.24 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.502 2.135 . . . . 55.43 111.586 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.68 -87.83 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.066 -0.588 . . . . 63.2 111.665 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.8 m -74.15 109.11 7.38 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.104 -0.332 . . . . 64.22 110.104 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.6 ptp -147.84 163.4 36.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 62.22 109.681 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -88.86 117.17 27.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.374 -0.375 . . . . 72.41 110.171 -176.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt 69.77 103.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 123.955 0.784 . . . . 74.52 110.79 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -149.66 -166.9 2.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.735 . . . . 64.41 109.698 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 m -56.71 164.51 1.46 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.402 -0.363 . . . . 52.44 110.595 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -54.04 134.2 43.7 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.997 0.427 . . . . 71.14 111.492 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -57.42 138.11 81.3 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.334 -0.848 . . . . 72.51 109.948 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.77 16.12 0.07 OUTLIER 'Trans proline' 0 N--CA 1.482 0.836 0 C-N-CA 123.193 2.595 . . . . 75.11 114.64 -172.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.19 11.99 20.34 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 110.066 -0.346 . . . . 73.14 110.066 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.02 8.32 13.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.298 -0.41 . . . . 64.53 110.883 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.55 104.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.802 -0.635 . . . . 71.14 111.73 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -62.99 -21.42 66.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.925 0.393 . . . . 72.15 110.843 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.38 -19.61 31.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.593 -0.73 . . . . 74.54 111.211 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.9 157.16 46.77 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.947 -0.644 . . . . 55.12 112.994 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.7 mmm -104.11 126.8 51.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.594 -0.891 . . . . 71.05 108.594 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' HB2' HD11 ' A' ' 32' ' ' LEU . 3.6 m-85 -133.42 154.13 51.03 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.273 -0.64 . . . . 71.52 109.273 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 142.88 34.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.283 -0.265 . . . . 73.54 110.283 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.8 t -94.46 124.22 46.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 N-CA-C 109.093 -0.706 . . . . 75.34 109.093 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 45' ' ' VAL . 48.3 mt -106.84 167.11 10.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.661 -0.7 . . . . 73.02 110.185 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 28' ' ' GLU . 8.1 tt -146.92 136.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.104 -0.498 . . . . 72.04 110.036 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -92.36 150.97 20.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.481 -0.933 . . . . 75.55 108.481 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.09 -7.7 2.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.023 0.827 . . . . 61.45 112.252 -171.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.731 ' HG3' ' HB2' ' A' ' 29' ' ' GLN . 10.0 pt-20 -82.71 16.64 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.635 -0.505 . . . . 73.21 109.635 169.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 24' ' ' ILE . 40.9 mt-10 58.23 40.27 24.94 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 121.681 0.753 . . . . 74.33 110.238 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.731 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.0 116.63 32.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.33 -0.85 . . . . 74.21 110.109 -179.603 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -87.17 144.37 26.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.752 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 t -149.1 165.66 31.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.348 -0.612 . . . . 53.22 109.348 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 20' ' ' PHE . 44.9 tp -126.86 118.37 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.316 -0.624 . . . . 74.5 109.316 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.4 t-105 -116.76 125.61 28.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.352 -0.385 . . . . 63.34 110.133 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.85 156.04 27.03 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.672 2.248 . . . . 51.42 112.371 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 p -61.98 -15.12 41.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.039 -0.528 . . . . 70.21 111.578 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -70.22 -11.92 61.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.972 -0.558 . . . . 72.31 111.789 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.04 14.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.689 0.281 . . . . 71.31 111.097 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.9 152.65 21.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.396 -0.365 . . . . 73.44 110.596 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.59 120.73 79.19 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.082 -0.508 . . . . 54.22 111.49 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.68 133.95 19.48 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.717 2.278 . . . . 75.04 112.729 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.33 129.48 31.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.648 -0.705 . . . . 52.4 110.733 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.67 -23.83 21.12 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.472 -0.651 . . . . 61.12 111.472 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -107.76 118.99 38.19 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.427 -0.583 . . . . 65.54 109.427 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -100.2 142.03 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 75.23 110.144 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.538 ' HA ' HD23 ' A' ' 23' ' ' LEU . 30.6 t -74.34 112.68 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 42.52 110.453 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -87.71 -36.6 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.308 0.575 . . . . 54.42 109.61 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -130.53 124.77 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.437 -0.801 . . . . 72.55 108.872 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.78 178.37 8.98 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.185 -0.531 . . . . 73.14 112.512 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.66 111.2 0.85 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.312 0.577 . . . . 63.23 110.854 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.44 164.81 27.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.873 -0.603 . . . . 24.11 110.371 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -61.17 151.25 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.552 -0.295 . . . . 62.51 111.192 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.4 tpt180 -47.07 -48.82 22.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 61.4 111.742 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.57 89.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.687 -0.233 . . . . 62.54 111.134 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -60.33 -42.9 96.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.113 0.482 . . . . 73.43 110.406 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.513 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.4 m -61.89 -48.28 81.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.781 -0.645 . . . . 64.42 110.75 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 52' ' ' ARG . 85.5 t -59.01 -48.46 86.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.464 -0.334 . . . . 63.11 111.065 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.63 -44.48 96.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 72.21 110.394 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.17 -47.71 84.79 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.759 -0.655 . . . . 75.13 110.679 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 55' ' ' CYS . 97.9 t -57.22 -46.69 84.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.005 -0.543 . . . . 73.44 110.676 175.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -55.27 -43.71 74.95 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.011 -0.54 . . . . 75.12 110.478 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -61.07 -41.38 96.54 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.935 -0.575 . . . . 74.24 110.967 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -94.57 13.51 23.89 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.759 -0.655 . . . . 73.44 111.796 -174.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -81.9 13.21 3.42 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 120.868 0.366 . . . . 75.22 110.65 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 p -59.38 -69.03 0.22 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.596 0.591 . . . . 62.45 112.596 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -121.08 143.28 49.16 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.903 0.383 . . . . 73.45 111.814 -173.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.403 HG22 ' HD2' ' A' ' 68' ' ' PRO . 61.0 mt -140.02 135.47 37.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 108.778 -0.823 . . . . 55.33 108.778 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 6.0 mmt180 -73.76 -50.74 5.53 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.798 0.666 . . . . 74.24 112.798 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 27' ' ' GLU . 56.5 Cg_endo -71.4 140.42 36.66 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 121.713 1.609 . . . . 54.14 111.076 173.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.721 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -68.36 100.1 1.02 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.89 0.376 . . . . 61.4 110.531 -178.403 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.5 p -55.63 123.74 15.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.874 -0.603 . . . . 33.04 110.259 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.7 mm? -76.48 -60.44 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.324 -0.621 . . . . 51.23 109.324 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 29.2 ptt180 -155.8 94.16 1.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.403 -0.817 . . . . 54.12 109.315 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -107.46 117.81 35.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.858 -0.61 . . . . 70.21 109.615 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -99.72 115.71 30.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 75.42 111.18 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.9 tp -126.51 136.03 52.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.811 -0.632 . . . . 72.41 109.298 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.9 -178.14 3.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.306 -0.406 . . . . 72.54 110.313 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.6 p -90.84 11.53 22.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.442 -0.345 . . . . 75.32 110.975 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.52 -65.29 3.44 Favored Glycine 0 C--N 1.331 0.257 0 N-CA-C 111.67 -0.572 . . . . 74.32 111.67 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.64 175.68 7.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.681 0.276 . . . . 65.34 110.344 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.586 -1.119 . . . . 64.22 111.154 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 112.095 -0.402 . . . . 54.31 112.095 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.28 102.22 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.605 2.203 . . . . 55.43 111.993 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.38 86.79 0.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.172 -0.771 . . . . 63.2 111.172 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.5 p -60.26 115.97 3.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.164 0.186 . . . . 64.22 110.817 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.8 tpt -77.58 61.85 2.4 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.225 -0.658 . . . . 62.22 109.225 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? 178.96 125.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.89 -1.05 . . . . 72.41 108.483 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 tt -154.95 144.8 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.644 0.259 . . . . 74.52 110.312 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -128.21 148.91 50.64 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.275 -0.639 . . . . 64.41 109.275 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.8 t -91.79 127.72 37.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 52.44 110.388 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.534 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 18.4 t70 -94.05 -167.31 1.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.346 -0.983 . . . . 71.14 108.346 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -98.0 93.65 1.84 Allowed Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 118.062 0.392 . . . . 72.51 110.351 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 83.5 Cg_endo -77.78 1.54 8.76 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.69 2.26 . . . . 75.11 112.312 -175.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -109.37 -1.68 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 73.14 110.338 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -94.13 -34.2 13.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.169 0.509 . . . . 64.53 109.901 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.63 102.88 0.78 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.343 -0.844 . . . . 71.14 110.762 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HB3' ' HG2' ' A' ' 52' ' ' ARG . 30.3 mt-10 -71.1 -7.29 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.871 -0.604 . . . . 72.15 110.957 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.29 -21.92 62.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.562 -0.744 . . . . 74.54 110.741 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.36 175.05 54.92 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 121.149 -0.548 . . . . 55.12 112.195 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 76.3 mtp -112.29 130.2 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.228 -0.656 . . . . 71.05 109.228 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 32' ' ' LEU . 8.1 m-85 -126.33 159.14 34.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.806 -0.442 . . . . 71.52 109.806 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -111.82 149.62 31.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.708 0.29 . . . . 73.54 110.486 177.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.502 ' O ' HG22 ' A' ' 46' ' ' VAL . 55.5 t -100.83 127.27 54.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.83 -0.804 . . . . 75.34 108.83 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp -114.29 167.4 10.73 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.815 0.341 . . . . 73.02 110.881 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.3 tt -139.08 141.97 34.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 115.572 -0.74 . . . . 72.04 110.241 174.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 47.1 t-20 -103.55 151.58 22.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.83 -1.174 . . . . 75.55 107.83 170.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -47.84 -29.72 3.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.064 0.853 . . . . 61.45 111.925 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 59.6 mm-40 -77.97 32.36 0.17 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.167 -0.469 . . . . 73.21 111.242 175.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' A' ' 67' ' ' ARG . 12.0 mm-40 54.91 24.74 6.08 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.928 0.491 . . . . 74.33 111.705 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.6 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.1 mt-30 -81.65 115.99 21.18 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.29 -0.564 . . . . 74.21 109.964 -174.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -103.21 132.27 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.606 -0.27 . . . . 74.33 110.672 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -151.61 -177.81 6.32 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.583 -0.525 . . . . 53.22 109.583 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 20' ' ' PHE . 52.8 tp -134.0 120.98 20.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.654 -0.248 . . . . 74.5 110.375 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -114.22 135.17 22.15 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.376 -0.375 . . . . 63.34 110.347 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.09 154.6 22.41 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.641 2.227 . . . . 51.42 113.104 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -60.28 -27.68 67.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.869 -0.605 . . . . 70.21 111.617 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 35.1 m-85 -79.44 2.55 21.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.759 -0.655 . . . . 72.31 111.774 -175.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.16 156.99 42.02 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.766 0.317 . . . . 71.31 110.796 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -84.96 139.06 32.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.681 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.64 117.58 29.41 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 123.42 0.45 . . . . 54.22 110.159 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.3 127.86 13.91 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.456 2.104 . . . . 75.04 112.169 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.36 128.35 33.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.08 -0.509 . . . . 52.4 110.22 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.98 -19.31 27.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.644 -0.582 . . . . 61.12 111.644 -174.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -114.66 125.31 53.6 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 65.54 109.515 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -103.62 147.37 27.29 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.136 -0.32 . . . . 75.23 110.136 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.428 HG13 ' HB2' ' A' ' 21' ' ' PHE . 60.0 t -81.35 114.28 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.669 0.271 . . . . 42.52 110.466 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.22 -28.91 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.147 -0.478 . . . . 54.42 110.61 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -131.67 122.56 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.832 -0.803 . . . . 72.55 108.832 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.88 -178.02 6.24 Favored Glycine 0 C--N 1.331 0.257 0 O-C-N 123.572 0.545 . . . . 73.14 113.105 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 2.1 mp0 -55.71 111.4 0.9 Allowed 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.645 -0.502 . . . . 63.23 109.645 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.02 166.42 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 24.11 111.019 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 t -62.74 152.23 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 62.51 110.986 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 16' ' ' GLU . 19.8 tpt180 -49.11 -52.83 23.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.257 -0.883 . . . . 61.4 112.492 -174.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.21 97.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.488 0.185 . . . . 62.54 111.129 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -61.4 -47.48 85.59 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.074 0.464 . . . . 73.43 110.464 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.8 m -59.55 -51.76 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.488 -0.778 . . . . 64.42 110.764 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.93 -38.66 81.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.016 -0.538 . . . . 63.11 110.518 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.84 -44.31 97.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.724 -0.671 . . . . 72.21 110.668 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -62.34 -49.01 77.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.062 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' CYS . 58.0 t -57.71 -36.61 55.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 115.942 -0.572 . . . . 73.44 110.627 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.23 -43.92 93.48 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.926 -0.579 . . . . 75.12 110.94 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -69.7 -37.54 76.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 74.24 110.809 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.02 13.64 22.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 73.44 111.08 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -49.62 -40.65 39.94 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.795 0.331 . . . . 75.22 111.057 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 p -72.64 -24.11 61.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.789 -0.641 . . . . 62.45 112.054 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.62 87.24 0.08 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.4 -0.364 . . . . 73.45 110.883 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 68' ' ' PRO . 38.6 mt -147.96 117.82 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.917 -0.771 . . . . 55.33 108.917 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.742 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 2.2 tmm_? -69.72 -52.57 13.6 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 110.094 -0.336 . . . . 74.24 110.094 -177.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 23.7 Cg_exo -65.92 161.31 40.09 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 121.927 1.751 . . . . 54.14 111.584 169.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -126.37 145.2 50.55 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.786 -0.45 . . . . 61.4 109.786 174.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.2 t -143.27 139.66 30.28 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.417 -0.356 . . . . 33.04 110.202 -177.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.67 93.84 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.429 -0.582 . . . . 51.23 109.429 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.3 mmp_? -81.51 -63.35 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 54.12 110.518 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -130.78 160.61 33.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.93 -0.577 . . . . 70.21 110.488 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -84.71 124.74 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.877 -0.786 . . . . 75.42 108.877 170.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 76' ' ' ALA . 3.6 pp -60.2 -24.37 64.75 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.177 0.513 . . . . 72.41 110.927 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.513 ' N ' HD12 ' A' ' 75' ' ' LEU . . . -139.73 119.59 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.747 -0.66 . . . . 72.54 109.539 175.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -69.38 110.5 4.72 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.531 -0.544 . . . . 75.32 109.531 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.64 -138.49 9.49 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 110.725 -0.95 . . . . 74.32 110.725 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -154.82 110.9 3.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.831 0.316 . . . . 65.34 110.18 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.839 -0.978 . . . . 64.22 111.29 179.13 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.038 -0.425 . . . . 54.31 112.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.84 148.9 63.87 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.053 2.502 . . . . 55.43 112.621 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.14 31.19 7.94 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.864 -0.607 . . . . 63.2 112.61 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 p -97.17 95.62 7.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.02 -0.363 . . . . 64.22 110.02 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 5' ' ' MET . 1.7 mpt? -83.02 130.81 35.18 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.997 -0.372 . . . . 62.22 109.997 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -105.41 142.74 34.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.297 -0.631 . . . . 72.41 109.297 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 10' ' ' ASP . 53.4 mt -63.34 156.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.469 -0.567 . . . . 74.52 109.469 176.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.1 mtp -57.95 -59.51 5.14 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.509 -0.552 . . . . 64.41 109.509 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 t -82.13 73.73 9.15 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.32 -0.622 . . . . 52.44 109.32 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 28.2 t70 -145.72 136.74 24.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.453 -0.794 . . . . 71.14 108.99 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.603 ' ND2' ' HB2' ' A' ' 14' ' ' ASP . 22.2 t-20 -125.33 78.31 67.56 Favored Pre-proline 0 C--N 1.328 -0.366 0 O-C-N 123.104 0.253 . . . . 72.51 110.801 -172.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 14' ' ' ASP . 92.4 Cg_endo -86.73 -51.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.675 2.25 . . . . 75.11 112.884 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -118.81 14.55 13.39 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.964 0.411 . . . . 73.14 110.717 -176.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.603 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 3.4 m-20 -101.09 2.92 40.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.997 -0.547 . . . . 64.53 111.041 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -86.49 -158.1 0.4 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.901 0.381 . . . . 71.14 111.542 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -114.4 -14.59 12.18 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.284 -0.416 . . . . 72.15 111.787 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -76.14 -23.0 54.8 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.054 0.454 . . . . 74.54 110.718 -173.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.07 137.41 15.08 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.886 -0.597 . . . . 55.12 112.012 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mtp -81.37 127.73 33.08 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.41 -0.589 . . . . 71.05 109.41 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -118.66 152.1 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.338 -0.392 . . . . 71.52 110.279 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -106.95 148.62 28.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.036 -0.357 . . . . 73.54 110.036 172.818 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.7 t -98.6 123.57 51.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.876 -0.787 . . . . 75.34 108.876 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 45' ' ' VAL . 56.7 mt -103.19 172.0 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.949 0.781 . . . . 73.02 110.641 -175.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 4.1 tt -152.12 161.96 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.139 0.495 . . . . 72.04 111.031 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' HG12 ' A' ' 24' ' ' ILE . 26.7 t-20 -130.97 155.3 47.05 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.764 -1.198 . . . . 75.55 107.764 166.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' CG ' HH12 ' A' ' 44' ' ' ARG . 18.7 m-20 -55.21 -17.66 4.75 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.966 0.791 . . . . 61.45 112.001 -169.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 22.8 mm-40 -80.31 24.7 0.43 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.026 -0.534 . . . . 73.21 110.571 173.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' HG3' ' NH1' ' A' ' 67' ' ' ARG . 30.9 mm-40 50.91 30.46 5.25 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.441 0.639 . . . . 74.33 110.613 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.598 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 32.5 tt0 -83.75 116.19 22.57 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.299 -0.864 . . . . 74.21 108.754 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -114.84 143.91 44.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.818 0.342 . . . . 74.33 111.707 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -151.69 -177.67 6.25 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.694 -0.685 . . . . 53.22 109.551 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -134.57 134.86 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.941 -0.392 . . . . 74.5 109.941 -175.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.492 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 14.5 t-105 -136.19 139.26 29.49 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-N 116.918 -0.128 . . . . 63.34 111.054 -172.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -83.91 152.98 12.96 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.719 2.28 . . . . 51.42 113.157 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -62.38 -27.21 68.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.476 -0.783 . . . . 70.21 111.701 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -67.67 -13.08 61.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 72.31 111.319 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.0 153.96 46.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.591 0.234 . . . . 71.31 110.457 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.26 152.29 22.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.59 -0.277 . . . . 73.44 110.778 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.1 t -56.01 128.01 70.38 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.801 -0.636 . . . . 54.22 111.39 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.42 142.53 45.27 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 122.843 2.362 . . . . 75.04 112.548 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.17 130.23 25.92 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 52.4 111.328 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.66 18.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.883 -0.599 . . . . 61.12 112.29 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -98.51 156.87 16.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.666 0.233 . . . . 65.54 110.832 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.448 HH12 ' CG ' ' A' ' 26' ' ' ASP . 5.1 ptp180 -138.46 149.52 45.53 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.384 -0.371 . . . . 75.23 110.254 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' HA ' HD23 ' A' ' 23' ' ' LEU . 52.2 t -76.2 133.88 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.484 -0.326 . . . . 42.52 110.809 -177.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -112.87 -39.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.093 -0.706 . . . . 54.42 109.093 172.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.53 121.83 41.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.162 -1.051 . . . . 72.55 108.162 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 178.12 16.04 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.116 -0.564 . . . . 73.14 112.708 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 111.41 0.87 Allowed 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.282 0.563 . . . . 63.23 110.407 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.98 166.76 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.524 -0.762 . . . . 24.11 110.467 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 p -58.44 156.99 9.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 62.51 111.109 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.5 tpt180 -53.15 -52.31 59.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 61.4 111.599 -176.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.99 84.4 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.137 0.421 . . . . 62.54 112.137 -173.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 p -59.01 -48.76 80.44 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.228 0.537 . . . . 73.43 110.748 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.7 m -59.39 -48.14 82.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.504 -0.771 . . . . 64.42 110.502 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 52' ' ' ARG . 84.4 t -62.6 -38.52 81.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 115.871 -0.604 . . . . 63.11 110.636 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.41 -43.32 94.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 72.21 110.351 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -62.21 -55.42 28.77 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.356 -0.384 . . . . 75.13 110.369 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.12 -43.62 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.009 -0.541 . . . . 73.44 111.332 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.53 -49.35 77.73 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.495 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -61.71 -46.37 89.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.013 -0.54 . . . . 74.24 111.336 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -94.25 13.1 24.5 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.933 0.397 . . . . 73.44 110.712 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -57.38 -57.25 13.47 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.364 -0.38 . . . . 75.22 110.782 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 t -82.07 67.85 8.24 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.922 0.867 . . . . 62.45 111.566 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -156.39 27.87 0.34 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.427 -0.806 . . . . 73.45 110.346 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.76 115.14 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.227 -0.657 . . . . 55.33 109.227 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.595 ' NH1' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -64.36 -54.28 39.46 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.287 -0.415 . . . . 74.24 111.266 -173.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 50.6 Cg_endo -87.13 90.27 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.323 2.015 . . . . 54.14 111.955 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -79.49 80.13 5.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.512 -0.313 . . . . 61.4 111.096 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -56.8 -38.4 72.5 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.378 -0.601 . . . . 33.04 109.378 173.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 pp -119.5 149.97 41.02 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.217 -0.901 . . . . 51.23 109.256 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -116.59 172.61 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.038 -0.356 . . . . 54.12 110.038 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.97 -173.86 2.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.361 0.601 . . . . 70.21 111.683 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -169.59 78.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.853 -1.067 . . . . 75.42 108.269 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.7 tp -159.55 -46.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.531 -0.759 . . . . 72.41 110.125 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.66 92.9 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.588 -0.733 . . . . 72.54 110.607 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -80.13 -11.71 59.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.67 -0.695 . . . . 75.32 110.164 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.63 -76.39 1.16 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 115.76 -0.655 . . . . 74.32 112.123 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -174.96 -27.29 0.01 OUTLIER 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.479 0.657 . . . . 65.34 109.29 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.158 -1.357 . . . . 64.22 110.937 175.826 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.55 -0.62 . . . . 54.31 111.55 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.29 130.08 38.25 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.844 2.363 . . . . 55.43 112.279 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.02 -78.27 1.42 Allowed Glycine 0 CA--C 1.52 0.364 0 CA-C-N 116.035 -0.53 . . . . 63.2 112.855 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -67.53 97.42 0.59 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.815 0.341 . . . . 64.22 111.355 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.7 ptp -154.55 147.36 24.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.132 -0.485 . . . . 62.22 110.196 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.73 33.71 20.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.328 0.585 . . . . 72.41 111.144 177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 tp -107.01 129.33 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.385 -0.825 . . . . 74.52 109.303 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.7 tpt 67.03 8.7 6.34 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.249 0.547 . . . . 64.41 110.645 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -100.05 -162.28 0.93 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.497 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.86 93.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.984 0.421 . . . . 71.14 110.212 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -104.16 129.77 24.55 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.718 -0.674 . . . . 72.51 109.382 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.03 14.0 0.22 Allowed 'Trans proline' 0 N--CA 1.477 0.544 0 C-N-CA 122.728 2.285 . . . . 75.11 113.98 -172.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -118.63 12.75 13.2 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.155 0.182 . . . . 73.14 110.96 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -95.36 20.94 8.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.84 0.352 . . . . 64.53 110.924 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.78 173.81 8.58 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.843 0.354 . . . . 71.14 110.945 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.12 -34.63 15.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.271 0.558 . . . . 72.15 110.944 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.27 -23.05 61.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.269 -0.878 . . . . 74.54 111.304 -173.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.64 127.33 16.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.854 -0.689 . . . . 55.12 111.81 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.7 mmm -82.97 127.56 33.65 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.677 -0.86 . . . . 71.05 108.677 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -120.41 157.6 28.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.666 0.269 . . . . 71.52 110.777 -173.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -115.79 149.1 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 73.54 110.007 172.201 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 46' ' ' VAL . 21.7 t -106.02 129.79 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.933 -0.765 . . . . 75.34 108.933 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 45' ' ' VAL . 32.7 mt -107.8 173.73 6.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.847 -0.615 . . . . 73.02 110.875 -173.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.6 tt -147.32 148.54 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-O 121.0 0.429 . . . . 72.04 110.934 172.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.8 t30 -117.92 155.06 30.86 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.224 -1.028 . . . . 75.55 108.224 169.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 28' ' ' GLU . 27.8 m-20 -49.39 -30.2 7.45 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 124.017 0.823 . . . . 61.45 112.419 -168.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 2.1 mp0 -75.38 31.19 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.881 176.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.529 ' HA ' HD11 ' A' ' 24' ' ' ILE . 41.9 mm-40 49.95 27.04 2.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.436 0.694 . . . . 74.33 111.869 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 98.7 mt-30 -80.21 116.14 20.14 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.459 -0.571 . . . . 74.21 109.459 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -107.45 145.51 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.981 -0.378 . . . . 74.33 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -156.45 171.62 19.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.067 -0.716 . . . . 53.22 109.067 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 HG22 ' A' ' 22' ' ' VAL . 39.0 tp -123.37 130.18 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.675 -0.491 . . . . 74.5 109.675 -175.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.402 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 12.0 t-105 -130.43 135.2 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 63.34 110.393 -174.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -83.07 153.87 14.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.578 2.186 . . . . 51.42 112.711 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -64.41 -12.64 45.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.788 -0.642 . . . . 70.21 111.517 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -82.17 -6.94 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.559 . . . . 72.31 111.692 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.41 37.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.896 0.379 . . . . 71.31 111.401 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.49 141.41 44.92 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.368 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.62 123.55 88.05 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 110.029 -0.36 . . . . 54.22 110.029 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.13 125.73 15.78 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 122.424 2.082 . . . . 75.04 111.745 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.21 128.16 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 52.4 110.581 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.7 -27.56 12.0 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.656 -0.578 . . . . 61.12 111.656 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -98.92 116.13 30.45 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.782 -0.451 . . . . 65.54 109.782 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -95.13 145.6 24.89 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 110.167 -0.308 . . . . 75.23 110.167 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.5 t -76.69 113.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 42.52 110.388 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.09 -32.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.326 0.584 . . . . 54.42 109.614 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -125.17 108.18 11.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.055 -1.091 . . . . 72.55 108.055 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.16 175.0 4.4 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.148 -0.548 . . . . 73.14 112.498 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -55.02 119.34 5.29 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.397 0.618 . . . . 63.23 110.065 -177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.51 166.85 28.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 24.11 110.754 -172.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.9 m -56.29 147.78 20.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.279 -0.873 . . . . 62.51 111.644 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 tpt180 -47.14 -50.14 20.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.884 -1.053 . . . . 61.4 111.661 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.63 82.6 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.008 0.373 . . . . 62.54 112.008 -176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.28 -51.7 66.64 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.394 0.616 . . . . 73.43 110.2 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.3 m -56.97 -45.32 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.246 -0.888 . . . . 64.42 110.389 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 52' ' ' ARG . 75.5 t -63.66 -41.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.423 -0.353 . . . . 63.11 110.857 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.58 -42.8 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.29 -0.414 . . . . 72.21 110.57 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.423 ' HD2' HG11 ' A' ' 22' ' ' VAL . 82.2 t80 -70.41 -45.19 66.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.327 -0.549 . . . . 75.13 110.659 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' CYS . 68.2 t -58.83 -33.0 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.61 -0.268 . . . . 73.44 111.049 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.01 -33.89 65.3 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.401 0.62 . . . . 75.12 110.539 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.91 -1.98 3.48 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.194 -0.912 . . . . 74.24 112.17 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -64.56 -1.32 1.74 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.098 0.407 . . . . 73.44 112.098 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -84.27 11.99 7.39 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.406 0.622 . . . . 75.22 109.978 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 p -74.84 -173.31 1.84 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.741 -0.663 . . . . 62.45 110.877 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.89 95.7 0.38 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.736 0.303 . . . . 73.45 111.605 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.6 mt -73.06 107.2 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.05 -0.722 . . . . 55.33 109.05 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 1.9 tmt_? -55.5 -54.76 47.67 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 115.708 -0.678 . . . . 74.24 112.178 -172.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 72.5 Cg_endo -73.25 -89.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.85 1.7 . . . . 54.14 112.879 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -129.53 131.73 46.68 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.422 -0.585 . . . . 61.4 109.422 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 t -59.81 140.57 56.48 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.602 -0.518 . . . . 33.04 109.602 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -80.75 45.94 0.84 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.249 0.547 . . . . 51.23 111.106 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -10.99 60.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.211 -0.449 . . . . 54.12 111.13 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -71.68 -20.28 61.96 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.136 -0.484 . . . . 70.21 110.874 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -77.09 92.44 3.77 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.243 0.544 . . . . 75.42 110.388 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 76' ' ' ALA . 7.7 tt -77.15 134.32 38.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.43 -0.805 . . . . 72.41 109.23 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' HD23 ' A' ' 75' ' ' LEU . . . -145.86 -50.86 0.24 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.137 -0.938 . . . . 72.54 108.994 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.9 m -104.63 98.77 8.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.102 -0.954 . . . . 75.32 109.226 172.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.89 -126.61 1.84 Allowed Glycine 0 C--O 1.237 0.302 0 N-CA-C 111.436 -0.666 . . . . 74.32 111.436 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.51 82.83 7.77 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.468 -0.938 . . . . 65.34 108.468 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 119.024 -0.875 . . . . 64.22 111.478 -176.282 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.51 -0.636 . . . . 54.31 111.51 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -88.03 11.69 3.06 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.154 2.569 . . . . 55.43 112.615 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.31 -88.07 0.33 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.15 -0.548 . . . . 63.2 111.972 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t 58.22 20.19 6.9 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.088 0.471 . . . . 64.22 111.034 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -68.96 -40.65 78.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.978 -0.556 . . . . 62.22 111.22 -175.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -132.12 135.43 46.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 72.41 111.003 -176.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.6 mp -95.25 -45.04 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.902 -0.59 . . . . 74.52 109.733 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -84.23 137.5 33.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.833 -0.622 . . . . 64.41 110.451 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -62.84 -39.12 93.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 52.44 111.538 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.58 108.04 19.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.422 -0.354 . . . . 71.14 111.072 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.516 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . 16.4 m120 -123.7 164.01 31.42 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 109.369 -0.604 . . . . 72.51 109.369 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' A' ' 11' ' ' ASN . 37.0 Cg_endo -64.47 4.25 0.65 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.937 2.425 . . . . 75.11 113.839 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -118.23 14.51 13.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.328 . . . . 73.14 110.361 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.76 12.47 25.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.14 -0.482 . . . . 64.53 110.731 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -82.27 139.39 34.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.858 -0.423 . . . . 71.14 109.858 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 9.7 pt-20 -62.4 -19.55 63.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.401 . . . . 72.15 111.186 -177.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -74.78 -22.73 58.6 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.685 -0.688 . . . . 74.54 110.541 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.66 142.48 27.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.044 -0.598 . . . . 55.12 112.07 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.432 ' O ' HG23 ' A' ' 35' ' ' THR . 80.3 mtp -96.43 127.63 42.61 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.606 -0.516 . . . . 71.05 109.606 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' HB2' HD22 ' A' ' 32' ' ' LEU . 3.6 m-85 -129.4 154.56 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.635 -0.506 . . . . 71.52 109.635 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 143.06 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.958 -0.386 . . . . 73.54 109.958 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 46' ' ' VAL . 58.6 t -95.79 128.82 46.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.315 -0.624 . . . . 75.34 109.315 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 45' ' ' VAL . 30.8 mt -114.46 167.03 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 73.02 109.491 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.8 tt -151.37 147.63 15.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.714 0.293 . . . . 72.04 110.42 175.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.562 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.6 t30 -110.87 155.64 22.31 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.75 -0.833 . . . . 75.55 108.75 170.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -58.66 -16.55 16.73 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.026 0.75 . . . . 61.45 113.026 -168.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 10.4 mp0 -83.73 34.04 0.48 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.099 -0.334 . . . . 73.21 110.099 170.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' HG2' ' HG2' ' A' ' 67' ' ' ARG . 8.1 mm-40 49.19 30.33 3.0 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.08 0.552 . . . . 74.33 110.928 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 93.3 mt-30 -78.79 116.36 19.08 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.724 -0.473 . . . . 74.21 109.724 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -88.09 137.55 32.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.341 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 t -144.74 155.01 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.034 -0.358 . . . . 53.22 110.034 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -132.0 115.14 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.58 -0.896 . . . . 74.5 108.58 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -116.94 128.06 26.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 63.34 110.768 -170.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.51 157.8 36.39 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.593 2.195 . . . . 51.42 112.315 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 19' ' ' MET . 25.2 p -62.51 -14.1 37.93 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.735 -0.666 . . . . 70.21 111.984 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -79.02 0.17 28.78 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.059 -0.519 . . . . 72.31 111.905 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.87 163.38 32.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.851 0.357 . . . . 71.31 111.279 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -93.68 152.32 19.05 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.032 -0.531 . . . . 73.44 110.066 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.33 123.82 67.92 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.986 -0.552 . . . . 54.22 111.384 -177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -65.17 129.85 24.02 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.729 2.286 . . . . 75.04 112.585 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 128.14 19.72 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.322 -0.854 . . . . 52.4 111.157 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -27.96 12.39 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.99 -0.55 . . . . 61.12 111.918 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -95.41 135.58 36.86 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.178 -0.305 . . . . 65.54 110.178 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -102.88 142.54 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.603 -0.517 . . . . 75.23 109.603 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.544 ' HA ' HD23 ' A' ' 23' ' ' LEU . 41.0 t -79.43 112.29 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 42.52 110.6 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -90.46 -32.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.91 0.386 . . . . 54.42 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -138.42 127.01 23.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.098 -0.705 . . . . 72.55 109.098 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.81 174.06 29.6 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.222 -0.513 . . . . 73.14 112.222 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.65 111.06 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.261 0.553 . . . . 63.23 111.429 -177.599 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.46 166.39 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 24.11 109.624 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 t -62.52 164.42 7.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.826 0.346 . . . . 62.51 111.146 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' HA ' ' A' ' 16' ' ' GLU . 14.4 tpp180 -50.35 -52.51 36.42 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.79 -0.641 . . . . 61.4 111.945 -175.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.73 76.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.516 -0.311 . . . . 62.54 111.618 -173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -55.22 -47.5 75.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.462 0.648 . . . . 73.43 110.18 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 59' ' ' VAL . 76.0 m -61.91 -49.31 76.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.112 -0.949 . . . . 64.42 111.04 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' ARG . 83.1 t -59.72 -44.77 94.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.787 0.327 . . . . 63.11 110.818 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -47.65 84.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.035 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -61.19 -45.97 92.38 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.474 -0.785 . . . . 75.13 110.372 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 55' ' ' CYS . 95.5 t -58.47 -41.16 80.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.508 176.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.59 -29.38 70.0 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.843 0.354 . . . . 75.12 111.002 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.56 -2.07 0.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.995 -0.548 . . . . 74.24 112.471 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -65.87 11.38 0.08 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.382 0.882 . . . . 73.44 113.382 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -74.88 -2.0 24.89 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.244 0.475 . . . . 75.22 112.077 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.9 m -75.54 -57.26 3.99 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.559 0.219 . . . . 62.45 111.549 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -147.52 146.37 29.45 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.034 0.383 . . . . 73.45 112.034 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 71' ' ' LEU . 38.0 mm -139.87 111.67 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 108.546 -0.909 . . . . 55.33 108.546 171.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.615 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 2.8 mmp_? -64.41 -52.47 53.16 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 111.984 0.364 . . . . 74.24 111.984 -176.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' ' 67' ' ' ARG . 52.5 Cg_exo -54.91 96.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.137 1.891 . . . . 54.14 112.08 172.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -66.37 -29.65 69.87 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.974 0.416 . . . . 61.4 110.456 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 p -80.67 69.1 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.482 -0.933 . . . . 33.04 108.482 169.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 66' ' ' ILE . 1.4 tt -63.57 103.7 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.026 -0.988 . . . . 51.23 111.273 -170.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 73' ' ' GLU . 99.1 mtt180 -81.59 145.07 30.82 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.744 -0.836 . . . . 54.12 108.744 171.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 24.6 tt0 75.9 136.77 0.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.992 0.807 . . . . 70.21 109.568 -170.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -153.31 104.34 2.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.351 0.596 . . . . 75.42 111.822 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.9 tp -92.71 -23.33 18.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.302 -0.863 . . . . 72.41 109.457 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 64.94 -179.44 0.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.204 -0.907 . . . . 72.54 110.98 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -135.09 106.4 6.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 75.32 110.625 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.63 63.62 3.7 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.0 -0.84 . . . . 74.32 111.0 176.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -74.53 -33.07 62.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.19 0.519 . . . . 65.34 110.238 -175.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.893 -0.948 . . . . 64.22 111.583 -179.62 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 112.35 -0.3 . . . . 54.31 112.35 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.87 97.66 0.57 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.676 2.25 . . . . 55.43 111.767 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.26 84.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 111.585 -0.606 . . . . 63.2 111.585 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 p -67.28 93.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.088 0.471 . . . . 64.22 111.147 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 10.4 tpt -88.32 166.39 14.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.858 -0.61 . . . . 62.22 110.084 176.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 5' ' ' MET . 75.4 mmtt 75.09 23.07 1.68 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.213 0.605 . . . . 72.41 110.901 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 pt -65.7 -18.43 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.872 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.2 mtp -73.83 123.3 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.848 -0.615 . . . . 64.41 110.051 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -73.92 -16.76 61.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.384 -0.371 . . . . 52.44 110.614 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.88 75.8 0.31 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.986 -0.552 . . . . 71.14 111.071 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HB3' ' HD2' ' A' ' 13' ' ' PHE . 33.7 m-80 -144.49 131.98 10.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 109.193 -0.669 . . . . 72.51 109.193 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -67.47 0.23 4.32 Favored 'Trans proline' 0 N--CA 1.476 0.474 0 C-N-CA 122.441 2.094 . . . . 75.11 112.263 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HD2' ' HB3' ' A' ' 11' ' ' ASN . 36.9 m-85 -86.02 -10.87 54.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.891 -0.595 . . . . 73.14 111.314 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -94.71 20.68 8.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.257 0.551 . . . . 64.53 110.027 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.87 172.63 1.63 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.446 -0.797 . . . . 71.14 110.595 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.12 -14.17 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 72.15 110.651 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -85.91 -22.88 27.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.772 -0.649 . . . . 74.54 111.475 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.9 155.97 45.29 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.962 -0.637 . . . . 55.12 112.202 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.1 mmm -92.57 126.99 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.882 -0.785 . . . . 71.05 108.882 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.7 m-85 -131.37 153.45 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 110.092 -0.336 . . . . 71.52 110.092 -177.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -105.53 154.43 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.523 -0.308 . . . . 73.54 110.343 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 46' ' ' VAL . 48.3 t -107.45 123.7 62.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.787 -0.82 . . . . 75.34 108.787 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 45' ' ' VAL . 39.1 mt -100.33 172.56 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.337 -0.847 . . . . 73.02 110.288 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 28' ' ' GLU . 11.3 tt -144.49 136.92 22.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 72.04 110.319 175.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 17.6 t30 -99.97 152.86 19.7 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.916 -1.142 . . . . 75.55 107.916 167.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -61.55 -4.26 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.997 0.74 . . . . 61.45 112.997 -166.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 43.3 mm-40 -90.74 24.57 2.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.45 -0.574 . . . . 73.21 109.45 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' ILE . 5.3 mm-40 56.57 28.28 13.67 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.905 0.882 . . . . 74.33 111.578 -174.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 53.4 mt-30 -78.07 116.75 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.21 110.503 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -85.04 152.78 23.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 74.33 110.022 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -166.4 135.62 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.665 -0.495 . . . . 53.22 109.665 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 20' ' ' PHE . 38.9 tp -93.69 122.63 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 74.5 110.088 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -122.87 128.88 25.21 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.181 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.43 155.58 24.9 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.735 2.29 . . . . 51.42 112.915 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -62.13 -20.57 64.21 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.656 -0.702 . . . . 70.21 111.389 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -78.07 -5.55 51.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 72.31 111.633 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.33 173.52 7.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 71.31 111.388 -176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -103.27 139.68 38.39 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.33 -0.396 . . . . 73.44 110.53 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.81 115.65 20.55 Favored Pre-proline 0 CA--C 1.535 0.368 0 O-C-N 123.47 0.481 . . . . 54.22 110.072 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.5 136.57 40.01 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.526 2.151 . . . . 75.04 112.362 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.42 128.32 33.76 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.641 -0.709 . . . . 52.4 110.78 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.75 -28.32 11.63 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.383 -0.687 . . . . 61.12 111.383 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -97.8 131.19 44.53 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.617 -0.512 . . . . 65.54 109.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -114.4 145.63 41.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.051 -0.351 . . . . 75.23 110.051 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.7 t -73.0 117.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 42.52 110.514 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -96.3 -35.54 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.255 0.55 . . . . 54.42 109.558 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.31 120.46 34.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.576 -0.898 . . . . 72.55 108.576 -176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.89 166.95 26.87 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.307 -0.473 . . . . 73.14 112.405 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.8 pt-20 -55.38 111.13 0.81 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.235 0.54 . . . . 63.23 110.337 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.44 167.04 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 24.11 111.034 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -54.49 145.23 18.98 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.867 -0.606 . . . . 62.51 111.085 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.3 tpt180 -47.73 -44.02 27.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.4 -0.818 . . . . 61.4 111.892 -175.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 62.54 111.771 -174.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.0 m -63.43 -44.55 94.23 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.587 0.708 . . . . 73.43 109.999 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.498 ' HB3' HD13 ' A' ' 32' ' ' LEU . 28.7 m -59.22 -48.48 81.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.125 -0.943 . . . . 64.42 110.398 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -60.96 -40.9 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.128 -0.487 . . . . 63.11 110.131 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.07 -43.73 78.25 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.542 -0.753 . . . . 72.21 110.533 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.58 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 67.0 t80 -70.49 -53.15 17.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.453 -0.339 . . . . 75.13 111.447 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 55' ' ' CYS . 93.7 t -52.66 -32.76 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 120.878 0.371 . . . . 73.44 111.125 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.24 -50.95 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.833 -0.621 . . . . 75.12 110.959 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 58' ' ' TYR . 13.9 pt20 -74.51 -33.18 62.73 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.12 -0.491 . . . . 74.24 111.554 -173.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -81.95 13.21 3.45 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.06 0.457 . . . . 73.44 111.262 -175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 48.8 t90 -74.65 -23.74 58.72 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 122.149 -0.344 . . . . 75.22 111.403 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 p -95.27 11.42 32.58 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.893 0.701 . . . . 62.45 112.893 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -89.84 123.03 33.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.636 -0.505 . . . . 73.45 109.636 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.666 HG12 HD23 ' A' ' 71' ' ' LEU . 60.1 mt -133.35 128.6 55.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 111.839 0.311 . . . . 55.33 111.839 -172.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.804 ' H ' ' HD2' ' A' ' 68' ' ' PRO . 11.1 mmt180 -118.87 -57.31 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.213 -0.448 . . . . 74.24 110.978 171.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.804 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 19.3 Cg_endo -55.65 -71.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.497 0 C-N-CA 122.702 2.268 . . . . 54.14 113.818 -169.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -144.44 -83.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.249 -0.278 . . . . 61.4 110.249 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.2 m -156.3 132.22 9.76 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.959 -0.386 . . . . 33.04 109.959 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.666 HD23 HG12 ' A' ' 66' ' ' ILE . 3.9 mm? -96.13 109.63 22.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.451 -0.341 . . . . 51.23 110.593 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -126.63 130.33 50.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.093 -0.706 . . . . 54.12 109.093 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -151.01 162.94 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.143 -0.317 . . . . 70.21 110.143 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB2' ' NZ ' ' A' ' 74' ' ' LYS . 5.0 ttmp? -92.75 147.46 22.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 75.42 110.513 -176.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 75' ' ' LEU . 6.3 mp -78.26 134.88 37.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.466 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.93 118.48 27.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.393 . . . . 72.54 110.109 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 p -77.73 98.2 5.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 75.32 110.737 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.93 172.55 48.86 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.832 -0.622 . . . . 74.32 112.248 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -107.59 -4.0 18.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.185 0.517 . . . . 65.34 110.192 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.62 -1.1 . . . . 64.22 111.112 178.029 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 112.287 -0.325 . . . . 54.31 112.287 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.2 61.04 7.65 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.796 2.331 . . . . 55.43 112.604 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.68 79.68 0.1 OUTLIER Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.087 -0.506 . . . . 63.2 112.822 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.7 m -58.88 98.08 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.952 0.406 . . . . 64.22 110.676 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 49.8 ttm -76.14 -62.84 1.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.861 -0.609 . . . . 62.22 110.887 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' NZ ' ' SD ' ' A' ' 8' ' ' MET . 6.0 ttpm? -166.17 154.55 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 72.41 109.676 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 tt -69.92 131.2 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 109.647 -0.501 . . . . 74.52 109.647 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.48 ' SD ' ' NZ ' ' A' ' 6' ' ' LYS . 95.0 mmm -120.72 145.83 47.09 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.083 -0.34 . . . . 64.41 110.083 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 m -60.19 -25.71 65.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 52.44 111.315 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -112.39 119.19 37.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 71.14 110.42 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -160.3 143.21 9.94 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 109.917 -0.401 . . . . 72.51 109.917 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.52 19.56 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.809 2.34 . . . . 75.11 113.197 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -101.9 -1.23 32.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.613 0.244 . . . . 73.14 111.07 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -106.4 -6.32 18.34 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.092 0.472 . . . . 64.53 110.522 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.69 151.75 46.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.383 0.611 . . . . 71.14 112.201 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 13.4 pt-20 -69.22 -18.16 63.86 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.979 -1.01 . . . . 72.15 112.79 -170.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -74.88 -22.76 58.47 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.92 0.341 . . . . 74.54 111.92 -172.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.21 150.57 21.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.865 -0.683 . . . . 55.12 112.835 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.8 mmm -95.83 127.33 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.482 -0.933 . . . . 71.05 108.482 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' HD11 ' A' ' 32' ' ' LEU . 6.5 m-85 -131.91 163.19 28.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.9 -0.408 . . . . 71.52 109.9 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.501 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.45 149.49 30.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.919 -0.4 . . . . 73.54 109.919 175.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.413 ' C ' HD12 ' A' ' 23' ' ' LEU . 97.0 t -99.73 127.46 52.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 109.516 -0.55 . . . . 75.34 109.516 -177.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.4 mp -115.76 167.76 10.65 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.163 0.506 . . . . 73.02 110.631 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 28' ' ' GLU . 7.3 tt -145.94 148.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.419 -0.81 . . . . 72.04 109.676 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -103.78 152.24 22.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.027 -1.101 . . . . 75.55 108.027 169.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.0 t70 -54.18 -25.78 24.46 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.062 0.851 . . . . 61.45 112.157 -168.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.21 16.49 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.211 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.548 ' HA ' HD11 ' A' ' 24' ' ' ILE . 41.5 mt-10 61.78 34.71 17.11 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.844 0.857 . . . . 74.33 110.803 -177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.525 HE21 ' HH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -87.32 118.58 26.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.5 -0.773 . . . . 74.21 109.722 -179.479 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -84.97 138.9 32.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 74.33 111.355 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 p -149.97 175.41 11.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.39 -0.368 . . . . 53.22 110.875 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 21' ' ' PHE . 51.5 tp -141.26 132.26 26.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.474 -0.565 . . . . 74.5 109.474 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -127.65 134.43 26.18 Favored Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 122.865 0.103 . . . . 63.34 110.824 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -79.49 154.78 24.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.832 2.355 . . . . 51.42 112.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.408 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 18.0 p -62.34 -25.84 68.12 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.923 -0.58 . . . . 70.21 111.868 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.0 -9.8 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.832 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.26 150.37 48.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.665 0.269 . . . . 71.31 110.632 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.31 152.82 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.34 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.4 t -55.66 122.69 47.18 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 123.757 0.661 . . . . 54.22 110.897 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.62 123.87 9.8 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.52 2.147 . . . . 75.04 112.178 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.56 128.88 24.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.462 -0.79 . . . . 52.4 110.532 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.7 20.91 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.905 -0.588 . . . . 61.12 112.315 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HH2' HE21 ' A' ' 29' ' ' GLN . 76.5 m95 -108.9 150.86 27.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.759 0.279 . . . . 65.54 110.321 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -121.32 139.78 52.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.823 -0.436 . . . . 75.23 109.823 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -83.61 113.74 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.704 0.288 . . . . 42.52 111.086 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -89.81 -34.13 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.374 0.607 . . . . 54.42 110.723 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.82 119.94 26.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 72.55 108.311 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.8 -176.52 2.36 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 121.262 -0.495 . . . . 73.14 112.303 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 131.04 44.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.421 0.629 . . . . 63.23 111.496 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.61 163.54 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.222 -0.899 . . . . 24.11 109.634 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 p -57.16 140.48 49.4 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.659 0.266 . . . . 62.51 110.523 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.62 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 3.7 tmt_? -47.49 -40.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.611 -0.722 . . . . 61.4 111.233 -175.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.77 79.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.76 -0.2 . . . . 62.54 111.059 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -60.96 -40.15 92.25 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.274 0.559 . . . . 73.43 109.768 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' HG23 ' A' ' 59' ' ' VAL . 41.3 m -58.15 -51.92 67.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.396 -0.82 . . . . 64.42 110.493 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.48 -37.3 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.858 -0.61 . . . . 63.11 110.842 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.06 -45.44 94.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 72.21 110.112 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -64.48 -50.52 67.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.593 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 55' ' ' CYS . 85.8 t -53.91 -48.5 62.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.408 -0.36 . . . . 73.44 110.577 177.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.53 -52.19 66.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.504 -0.771 . . . . 75.12 111.092 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -69.04 -24.34 64.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.29 -0.414 . . . . 74.24 111.012 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -94.56 13.98 22.35 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.651 -0.25 . . . . 73.44 111.389 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -56.99 -48.92 77.29 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 110.114 -0.328 . . . . 75.22 110.114 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.3 p 39.37 -92.22 0.01 OUTLIER 'General case' 0 C--O 1.238 0.5 0 O-C-N 124.4 1.062 . . . . 62.45 112.177 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -173.61 119.6 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.289 0.566 . . . . 73.45 110.129 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.786 HG22 ' HD2' ' A' ' 68' ' ' PRO . 53.9 mt -84.19 136.15 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.599 -0.728 . . . . 55.33 109.632 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -60.99 -50.65 83.86 Favored Pre-proline 0 N--CA 1.47 0.573 0 N-CA-C 112.058 0.392 . . . . 74.24 112.058 -175.322 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.786 ' HD2' HG22 ' A' ' 66' ' ' ILE . 73.5 Cg_exo -52.22 112.78 0.95 Allowed 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.142 1.228 . . . . 54.14 110.772 166.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -56.99 -24.24 51.96 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.998 -0.547 . . . . 61.4 111.449 -171.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t 62.41 21.73 12.76 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.161 0.505 . . . . 33.04 110.685 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.1 tp -73.8 144.75 45.44 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.813 -0.63 . . . . 51.23 110.611 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.1 tpm_? -144.3 159.44 42.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.595 -0.52 . . . . 54.12 109.595 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.64 86.72 0.08 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.087 0.47 . . . . 70.21 110.558 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -167.13 105.99 0.58 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.511 -0.768 . . . . 75.42 108.946 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.5 tp -75.19 142.36 43.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.086 0.47 . . . . 72.41 111.23 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.74 156.83 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.698 -0.683 . . . . 72.54 109.601 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.4 t -141.22 -44.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.601 -0.272 . . . . 75.32 110.875 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 66.42 52.62 34.02 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.162 -0.775 . . . . 74.32 111.162 -176.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.03 149.47 30.7 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.844 0.354 . . . . 65.34 111.042 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.872 -0.96 . . . . 64.22 111.243 178.733 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.479 -0.649 . . . . 54.31 111.479 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -47.6 97.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 123.079 2.519 . . . . 55.43 112.613 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.4 178.46 36.28 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.432 -0.667 . . . . 63.2 111.432 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t 63.37 13.27 6.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.33 0.586 . . . . 64.22 110.865 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 49.8 ttp -91.71 40.89 1.05 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.592 0.711 . . . . 62.22 109.265 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -72.66 79.29 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.607 -0.724 . . . . 72.41 110.434 -177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -91.55 94.01 4.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.794 -0.639 . . . . 74.52 109.685 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.1 mtt -81.35 49.9 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 64.41 109.984 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.2 m 72.97 -40.13 0.47 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.386 0.674 . . . . 52.44 110.7 -172.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.479 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 4.8 m-20 -61.11 114.14 2.96 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.732 -0.47 . . . . 71.14 109.732 171.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -104.13 94.89 7.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.648 -0.501 . . . . 72.51 109.648 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 23.7 Cg_exo -62.83 -31.15 78.1 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.52 2.147 . . . . 75.11 112.172 -175.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 34' ' ' PRO . 23.5 m-85 -89.49 5.2 46.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.665 -0.698 . . . . 73.14 110.684 -175.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -107.24 -11.42 15.59 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.898 -0.592 . . . . 64.53 110.054 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.13 144.43 55.37 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.907 -0.588 . . . . 71.14 109.986 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.66 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 14.8 pt-20 -84.21 -21.39 31.23 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.739 0.644 . . . . 72.15 112.739 -170.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.75 -23.01 39.71 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.567 0.223 . . . . 74.54 111.58 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.35 136.49 20.33 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.56 -0.829 . . . . 55.12 111.344 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mmm -87.81 127.08 35.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.256 -0.646 . . . . 71.05 109.256 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.3 153.7 47.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.557 -0.535 . . . . 71.52 109.557 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.59 153.77 24.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.883 0.373 . . . . 73.54 110.851 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 46' ' ' VAL . 58.6 t -105.7 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.891 -0.781 . . . . 75.34 108.891 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.7 mt -112.29 174.12 6.04 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.975 0.797 . . . . 73.02 110.498 -175.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.7 tt -151.51 145.26 16.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.33 -0.395 . . . . 72.04 110.754 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 27.8 t-20 -106.8 158.88 16.65 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.265 -0.425 . . . . 75.55 109.88 174.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 m-20 -38.62 -44.87 1.02 Allowed 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.862 1.351 . . . . 61.45 112.858 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 23.6 mm-40 -75.58 26.2 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 73.21 111.03 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' A' ' 24' ' ' ILE . 44.5 mt-10 52.26 44.51 29.69 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.714 0.769 . . . . 74.33 109.973 -177.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 99.4 mt-30 -91.61 115.62 28.2 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.037 -0.983 . . . . 74.21 109.165 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -88.48 149.53 23.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 74.33 110.596 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -159.46 169.71 23.31 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.608 -0.516 . . . . 53.22 109.608 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.69 132.21 48.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.483 -0.562 . . . . 74.5 109.483 -176.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -135.53 128.4 18.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 63.34 110.055 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 91.4 Cg_endo -83.22 155.9 14.68 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.702 2.268 . . . . 51.42 112.628 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 p -59.84 -24.88 64.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.873 -0.603 . . . . 70.21 111.445 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.4 ' HD2' ' HB2' ' A' ' 34' ' ' PRO . 29.5 m-85 -70.34 -8.96 54.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.519 -0.764 . . . . 72.31 111.292 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.51 156.65 38.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.67 0.271 . . . . 71.31 110.411 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.27 136.14 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 73.44 110.478 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -55.28 116.96 12.9 Favored Pre-proline 0 CA--C 1.536 0.427 0 O-C-N 123.368 0.417 . . . . 54.22 110.947 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 131.02 16.96 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.626 2.217 . . . . 75.04 112.727 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.87 128.32 34.5 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.993 -0.549 . . . . 52.4 110.218 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.45 -17.94 30.58 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.65 -0.58 . . . . 61.12 111.65 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -115.34 101.47 8.95 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.423 -0.584 . . . . 65.54 109.423 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -84.29 148.46 26.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.293 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.527 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.4 t -76.72 131.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 42.52 110.808 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -114.49 -29.72 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.06 0.457 . . . . 54.42 110.304 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.1 t80 -135.72 116.09 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.839 -0.8 . . . . 72.55 108.839 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.33 172.72 9.16 Favored Glycine 0 CA--C 1.52 0.385 0 O-C-N 123.366 0.416 . . . . 73.14 112.788 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.21 117.39 3.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.29 0.567 . . . . 63.23 111.32 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.32 166.16 25.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.444 -0.798 . . . . 24.11 110.237 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -54.91 146.37 17.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.809 0.338 . . . . 62.51 111.085 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.66 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 20.5 tpt180 -47.39 -49.04 25.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.584 -0.734 . . . . 61.4 111.734 -176.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.8 75.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.533 -0.303 . . . . 62.54 111.599 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -66.16 -42.61 88.77 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.201 0.524 . . . . 73.43 110.445 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.42 ' O ' HG23 ' A' ' 59' ' ' VAL . 23.1 m -64.73 -44.22 90.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 64.42 110.255 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 52' ' ' ARG . 85.9 t -63.42 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.09 0 CA-C-N 116.009 -0.542 . . . . 63.11 110.302 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -57.0 -49.47 75.67 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.78 -0.645 . . . . 72.21 110.149 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -62.4 -53.55 53.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.286 -0.87 . . . . 75.13 110.646 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 55' ' ' CYS . 84.8 t -56.9 -38.21 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.242 -0.435 . . . . 73.44 111.429 177.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.25 -50.8 64.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.126 0.489 . . . . 75.12 110.747 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -65.38 -12.13 49.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 74.24 110.404 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.5 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 2.8 m-70 -93.01 13.24 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.846 -0.615 . . . . 73.44 111.653 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -55.31 -35.97 65.7 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.72 0.295 . . . . 75.22 110.965 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 p -84.31 -8.28 59.06 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.139 0.495 . . . . 62.45 111.335 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' ' 62' ' ' HIS . 8.3 t70 -77.68 80.43 4.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.594 . . . . 73.45 110.42 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 53.5 mt -148.8 121.03 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 115.253 -0.885 . . . . 55.33 109.321 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.648 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -74.06 -56.92 2.5 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 111.399 0.148 . . . . 74.24 111.399 -179.151 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 35.6 Cg_endo -91.1 -163.77 0.13 Allowed 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.197 1.931 . . . . 54.14 112.281 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 51.74 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.683 -0.858 . . . . 61.4 108.683 174.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.648 ' HB2' ' HG2' ' A' ' 68' ' ' PRO . 20.7 t -76.87 -63.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.431 -0.804 . . . . 33.04 111.139 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD13 ' H ' ' A' ' 73' ' ' GLU . 2.0 tm? -74.95 95.32 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.514 -0.55 . . . . 51.23 109.514 -175.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -110.1 19.47 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.414 -0.812 . . . . 54.12 110.413 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' H ' HD13 ' A' ' 71' ' ' LEU . 32.1 mt-10 -98.1 -86.28 0.35 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.609 -0.723 . . . . 70.21 110.135 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 16.1 pttm 57.73 148.64 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.566 1.146 . . . . 75.42 112.429 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -114.19 133.48 55.57 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.58 -0.896 . . . . 72.41 108.58 172.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 77' ' ' SER . . . -65.25 82.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.278 0.361 . . . . 72.54 110.556 -178.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 22.7 t 169.0 -32.61 0.0 OUTLIER 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.402 -0.817 . . . . 75.32 109.233 -177.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.88 -99.39 2.21 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.744 -0.662 . . . . 74.32 111.462 -176.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -81.83 87.15 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 65.34 110.415 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.266 0 CA-C-O 118.95 -0.917 . . . . 64.22 112.135 -178.895 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 112.216 -0.354 . . . . 54.31 112.216 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 25.3 Cg_exo -63.1 113.77 2.17 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.615 2.21 . . . . 55.43 111.951 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.16 130.08 1.08 Allowed Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.732 -0.547 . . . . 63.2 111.732 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -70.15 -23.76 63.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.265 0.555 . . . . 64.22 110.408 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.547 ' SD ' ' N ' ' A' ' 5' ' ' MET . 0.0 OUTLIER -113.16 132.38 55.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.491 -0.777 . . . . 62.22 109.776 178.316 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -65.9 -40.72 91.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.255 0.55 . . . . 72.41 110.144 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 tt -99.77 130.67 48.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 74.52 109.663 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -62.62 95.84 0.08 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.074 0.464 . . . . 64.41 110.325 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 p -67.45 165.1 17.35 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.391 -0.822 . . . . 52.44 110.707 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -62.1 132.05 51.55 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.644 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -81.86 156.32 70.07 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 72.51 110.352 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.21 -12.73 36.19 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.821 2.348 . . . . 75.11 113.163 -176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -100.54 6.45 44.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.565 0.221 . . . . 73.14 111.255 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -94.95 2.31 55.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.784 0.326 . . . . 64.53 110.41 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -92.52 -176.12 4.2 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.486 0.66 . . . . 71.14 112.319 -172.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -117.98 -22.75 7.73 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.077 -0.965 . . . . 72.15 110.793 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.16 -20.62 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 74.54 110.588 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.28 155.97 48.7 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.866 -0.607 . . . . 55.12 111.771 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.6 mtp -97.45 127.73 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.733 -0.469 . . . . 71.05 109.733 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.17 159.45 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HD2' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.02 149.78 28.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.396 0.141 . . . . 73.54 110.674 178.73 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.5 t -99.52 125.58 53.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 109.752 -0.462 . . . . 75.34 109.752 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -109.94 170.79 7.84 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.996 0.81 . . . . 73.02 110.466 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.554 HD11 ' HA ' ' A' ' 28' ' ' GLU . 7.2 tt -153.61 154.92 6.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-N 116.046 -0.525 . . . . 72.04 110.587 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 29' ' ' GLN . 56.7 t30 -127.41 156.22 42.41 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.771 -0.826 . . . . 75.55 108.771 171.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 28' ' ' GLU . 16.7 t70 -45.52 -28.33 0.91 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.53 0.937 . . . . 61.45 113.53 -166.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 14.2 mp0 -78.01 27.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.272 -0.268 . . . . 73.21 110.661 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.807 ' HG2' ' HB2' ' A' ' 67' ' ' ARG . 34.9 mm-40 47.98 28.61 1.48 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.469 0.652 . . . . 74.33 110.577 -169.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 60.1 tp60 -70.44 115.67 9.89 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.235 -0.893 . . . . 74.21 108.672 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -98.2 133.86 42.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.317 . . . . 74.33 110.863 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.3 t -141.22 163.93 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.384 -0.599 . . . . 53.22 109.384 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.89 115.37 12.71 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.288 -0.634 . . . . 74.5 109.288 -178.386 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -113.8 133.83 22.19 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.405 -0.118 . . . . 63.34 110.711 -174.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.7 155.54 24.04 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.857 2.372 . . . . 51.42 112.785 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 p -61.83 -24.75 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 70.21 111.468 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -78.31 4.52 12.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 72.31 111.877 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.02 153.64 46.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.119 -0.326 . . . . 71.31 110.119 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.18 152.57 21.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.911 0.386 . . . . 73.44 111.354 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.35 124.79 79.75 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.273 -0.876 . . . . 54.22 111.695 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.44 123.93 11.42 Favored 'Trans proline' 0 C--O 1.243 0.737 0 C-N-CA 122.607 2.205 . . . . 75.04 111.783 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.43 128.24 22.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.326 -0.852 . . . . 52.4 111.312 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.89 -28.09 11.88 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.78 -0.646 . . . . 61.12 111.678 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -94.65 131.3 40.58 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.845 -0.428 . . . . 65.54 109.845 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -104.19 136.54 43.6 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 110.073 -0.343 . . . . 75.23 110.073 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.3 125.18 38.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.312 -0.404 . . . . 42.52 110.398 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -100.29 -36.93 5.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.273 0.558 . . . . 54.42 110.528 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -123.47 121.99 37.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.628 -0.879 . . . . 72.55 108.628 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.29 178.6 6.34 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 121.051 -0.595 . . . . 73.14 112.413 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 1.1 pm0 -55.34 120.09 6.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.564 0.697 . . . . 63.23 110.86 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.37 166.49 24.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 24.11 109.734 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.37 141.05 58.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.569 . . . . 62.51 109.462 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.4 tmt_? -47.87 -39.21 18.11 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.428 0.455 . . . . 61.4 111.307 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.97 91.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.482 -0.326 . . . . 62.54 111.363 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -69.87 -40.42 75.75 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.627 0.727 . . . . 73.43 109.404 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.485 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 m -57.56 -51.07 70.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.121 -0.945 . . . . 64.42 110.016 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.4 t -63.63 -34.58 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 CA-C-N 115.844 -0.616 . . . . 63.11 110.388 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.42 -44.32 84.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.118 -0.492 . . . . 72.21 109.782 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -68.52 -54.56 15.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.271 -0.422 . . . . 75.13 110.92 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.8 t -52.86 -38.06 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.851 -177.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.62 -44.16 96.66 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.925 0.393 . . . . 75.12 110.243 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -64.29 -47.61 78.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.821 -0.627 . . . . 74.24 110.402 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -80.41 0.35 33.66 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.628 -0.715 . . . . 73.44 110.877 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -71.22 -24.7 62.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 75.22 110.403 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 m -77.65 -7.93 57.15 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.048 -0.524 . . . . 62.45 111.103 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.07 103.04 11.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.043 0.449 . . . . 73.45 111.157 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.6 mt -107.64 109.81 29.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.746 -0.661 . . . . 55.33 109.425 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.807 ' HB2' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -90.68 -49.06 0.36 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.282 -178.236 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 56.0 Cg_endo -69.87 103.52 1.19 Allowed 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.618 1.546 . . . . 54.14 111.795 179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -73.32 82.03 1.38 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.326 0.584 . . . . 61.4 110.47 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 t -167.95 52.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.087 -1.079 . . . . 33.04 108.087 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.25 92.98 0.43 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.111 -0.95 . . . . 51.23 111.096 -172.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -67.06 -55.48 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.947 -0.569 . . . . 54.12 109.551 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.03 93.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.644 -0.707 . . . . 70.21 109.3 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 137.13 56.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.07 -0.514 . . . . 75.42 111.129 -171.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.553 HD23 ' H ' ' A' ' 75' ' ' LEU . 2.5 pt? -76.07 158.6 31.65 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.991 -0.549 . . . . 72.41 110.502 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.81 131.39 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 72.54 110.472 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -77.21 81.9 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.543 . . . . 75.32 109.902 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.06 150.85 12.1 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.685 -0.689 . . . . 74.32 111.826 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -151.82 -52.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.689 -0.486 . . . . 65.34 109.689 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.585 -1.119 . . . . 64.22 111.316 -179.688 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.88 -0.488 . . . . 54.31 111.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.77 91.85 0.8 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.67 2.247 . . . . 55.43 113.045 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.69 74.04 0.86 Allowed Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.992 -0.549 . . . . 63.2 113.304 172.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 67.26 -4.18 0.9 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.447 0.536 . . . . 64.22 112.447 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 97.5 mmm -94.86 115.93 28.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 62.22 110.205 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -143.7 122.09 12.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 72.41 109.68 177.597 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -90.91 82.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.288 0.566 . . . . 74.52 109.796 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.7 mtp -107.75 5.05 26.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.709 -0.678 . . . . 64.41 110.445 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -99.53 165.39 11.66 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.045 -0.525 . . . . 52.44 110.43 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.98 78.65 4.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.711 -0.478 . . . . 71.14 109.711 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -142.08 70.52 23.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.312 -0.404 . . . . 72.51 111.078 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.36 -52.0 0.66 Allowed 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.373 2.049 . . . . 75.11 111.04 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -118.61 -3.05 10.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.439 -0.801 . . . . 73.14 110.318 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.28 -8.52 59.64 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.938 -0.574 . . . . 64.53 111.86 -173.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.36 169.89 16.2 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.442 -0.345 . . . . 71.14 110.663 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -110.22 -35.07 6.19 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.872 0.368 . . . . 72.15 111.348 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -81.58 -22.98 37.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.94 -0.573 . . . . 74.54 110.801 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.59 142.43 47.83 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.629 -0.796 . . . . 55.12 111.414 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.1 mmm -88.91 127.25 35.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 71.05 109.437 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 32' ' ' LEU . 4.0 m-85 -129.89 149.83 51.45 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.13 146.86 30.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.622 0.249 . . . . 73.54 111.131 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.2 t -98.02 125.72 51.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 109.189 -0.671 . . . . 75.34 109.189 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.4 mt -108.49 169.35 8.7 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.854 0.721 . . . . 73.02 110.241 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.1 tt -148.19 150.97 13.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.076 0.465 . . . . 72.04 111.271 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 56.4 t30 -119.71 153.94 34.87 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.333 -0.988 . . . . 75.55 108.333 168.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 28' ' ' GLU . 33.2 m-20 -53.17 -23.42 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.231 0.826 . . . . 61.45 113.231 -166.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 1.5 mp0 -75.56 19.96 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.76 0.314 . . . . 73.21 110.851 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 24' ' ' ILE . 30.3 mt-10 59.48 26.55 15.53 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.406 0.682 . . . . 74.33 110.505 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.575 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 97.6 mt-30 -76.57 115.93 16.78 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.17 -1.048 . . . . 74.21 108.17 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -123.68 143.16 50.43 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.185 -0.302 . . . . 74.33 110.185 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.4 t -163.04 172.94 14.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.771 -0.826 . . . . 53.22 108.771 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 20' ' ' PHE . 40.8 tp -118.59 133.83 55.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.044 -0.525 . . . . 74.5 110.216 -174.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -129.16 130.6 23.39 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.041 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.81 154.1 19.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.609 2.206 . . . . 51.42 112.979 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 p -63.62 -20.11 65.41 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.76 -0.655 . . . . 70.21 111.585 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -76.44 -2.32 31.47 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.134 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.65 161.8 26.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.621 -0.263 . . . . 71.31 110.538 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -96.14 152.6 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.331 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -76.5 124.68 87.97 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.001 -0.545 . . . . 54.22 110.921 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.03 126.45 15.2 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.606 2.204 . . . . 75.04 111.934 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.02 128.49 37.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.753 -0.658 . . . . 52.4 110.633 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 -27.99 11.44 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.534 -0.626 . . . . 61.12 111.534 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -93.85 129.52 40.23 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.424 -0.584 . . . . 65.54 109.424 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -107.71 141.77 38.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 75.23 110.596 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.531 ' HA ' HD23 ' A' ' 23' ' ' LEU . 26.7 t -74.11 115.19 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.824 -0.625 . . . . 42.52 110.294 -178.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -88.38 -35.4 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.214 0.53 . . . . 54.42 109.645 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -132.7 123.54 26.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.306 -0.861 . . . . 72.55 109.194 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.81 175.52 7.68 Favored Glycine 0 C--N 1.333 0.396 0 O-C-N 123.663 0.602 . . . . 73.14 112.599 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -57.29 111.99 1.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.102 0.477 . . . . 63.23 110.858 -178.455 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.34 165.56 25.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.801 -0.636 . . . . 24.11 110.382 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.8 t -59.28 154.52 16.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 62.51 111.052 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.3 tpt180 -47.47 -48.5 26.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.505 -0.77 . . . . 61.4 111.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.1 82.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.433 -0.349 . . . . 62.54 111.69 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -60.86 -45.59 93.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.131 0.491 . . . . 73.43 110.635 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' HB3' HD13 ' A' ' 32' ' ' LEU . 56.0 m -62.85 -42.97 99.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 64.42 110.832 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 52' ' ' ARG . 73.3 t -62.6 -43.75 98.77 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.038 0 CA-C-N 116.342 -0.39 . . . . 63.11 110.324 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.38 -46.73 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.819 -0.628 . . . . 72.21 110.31 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -62.35 -54.96 32.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.504 -0.771 . . . . 75.13 110.474 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.0 t -55.8 -40.48 61.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 115.94 -0.573 . . . . 73.44 111.491 177.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.77 -42.39 97.4 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.317 -175.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 14.3 mm-40 -76.6 -27.67 55.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.45 -177.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -94.23 13.28 23.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 73.44 109.96 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -75.79 13.3 0.85 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.043 -0.526 . . . . 75.22 111.097 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.3 p -55.17 168.67 0.31 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.332 -0.394 . . . . 62.45 111.236 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -52.75 126.56 20.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.337 0.589 . . . . 73.45 110.821 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.84 HG22 ' HD2' ' A' ' 68' ' ' PRO . 3.0 mp -97.91 157.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.665 -0.698 . . . . 55.33 109.207 -175.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 8.3 mpt_? -77.21 -53.49 1.66 Allowed Pre-proline 0 CA--C 1.54 0.592 0 CA-C-O 119.534 -0.269 . . . . 74.24 111.479 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.84 ' HD2' HG22 ' A' ' 66' ' ' ILE . 38.7 Cg_endo -66.77 144.76 72.75 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 121.976 1.784 . . . . 54.14 111.839 174.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HE2' HD11 ' A' ' 71' ' ' LEU . 22.4 tptm -102.03 22.6 12.84 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.16 0.505 . . . . 61.4 110.792 -176.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 p -71.51 83.12 0.82 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.277 0.561 . . . . 33.04 110.665 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' A' ' 69' ' ' LYS . 86.3 mt -71.41 90.77 0.98 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.591 -0.731 . . . . 51.23 110.476 -178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -90.99 139.68 30.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.707 -0.679 . . . . 54.12 109.979 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -83.88 134.74 34.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 70.21 111.813 -171.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -175.05 -32.97 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.395 -0.821 . . . . 75.42 109.911 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.7 mt -65.06 -14.52 60.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.59 -0.732 . . . . 72.41 110.97 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.99 87.52 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.548 -0.751 . . . . 72.54 111.911 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.6 m 75.22 -51.65 0.66 Allowed 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.403 0.89 . . . . 75.32 113.403 168.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.38 -36.62 63.57 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.768 -0.253 . . . . 74.32 113.502 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -128.42 105.58 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.781 -0.451 . . . . 65.34 109.781 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.139 0 CA-C-O 118.903 -0.943 . . . . 64.22 111.218 -177.222 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.874 -0.49 . . . . 54.31 111.874 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -93.78 -158.44 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.365 2.71 . . . . 55.43 112.172 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.87 138.77 6.54 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 111.697 -0.561 . . . . 63.2 111.697 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.416 ' OG ' ' HE3' ' A' ' 6' ' ' LYS . 5.9 p -100.49 170.13 8.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.719 0.295 . . . . 64.22 110.712 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.7 mtt -71.04 82.56 0.68 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.088 0.47 . . . . 62.22 110.54 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HE3' ' OG ' ' A' ' 4' ' ' SER . 34.6 mmtp -96.74 130.31 44.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.808 -0.633 . . . . 72.41 109.882 176.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -74.85 146.15 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.333 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.8 ptp -51.11 110.79 0.47 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.17 0.509 . . . . 64.41 110.106 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -163.47 -173.16 3.21 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.643 -0.708 . . . . 52.44 109.783 -174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.78 118.01 8.35 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.392 -0.367 . . . . 71.14 110.217 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -138.75 134.35 17.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.777 -0.453 . . . . 72.51 109.777 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.79 -26.93 59.87 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.802 2.335 . . . . 75.11 112.953 -175.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -80.75 8.89 7.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.963 0.357 . . . . 73.14 111.963 -176.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.54 12.89 19.99 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.466 0.651 . . . . 64.53 109.676 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.12 137.94 58.22 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.885 -0.598 . . . . 71.14 111.216 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -57.12 -31.42 65.3 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.85 0.685 . . . . 72.15 112.85 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -81.57 -11.82 59.0 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.425 0.155 . . . . 74.54 111.372 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.98 128.1 9.32 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.684 -0.769 . . . . 55.12 111.776 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 83.1 mtp -72.81 127.6 33.02 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.348 -0.612 . . . . 71.05 109.348 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 9.4 m-85 -128.7 161.89 28.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.463 -0.569 . . . . 71.52 109.463 -178.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.6 150.82 28.42 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.44 -0.207 . . . . 73.54 110.44 177.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.4 t -99.3 126.01 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 108.752 -0.833 . . . . 75.34 108.752 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.1 mp -115.75 170.24 8.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.107 0.48 . . . . 73.02 111.004 -175.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.5 tt -143.89 136.57 23.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.364 -0.834 . . . . 72.04 110.002 173.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.3 t30 -94.42 153.58 17.88 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.649 -0.871 . . . . 75.55 108.649 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 28' ' ' GLU . 6.5 m-20 -63.85 -9.24 13.92 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.919 0.762 . . . . 61.45 111.314 -171.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 47.1 mt-10 -80.72 18.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 73.21 109.556 169.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' A' ' 67' ' ' ARG . 57.0 mt-10 59.82 31.16 20.64 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.544 0.738 . . . . 74.33 110.052 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 96.6 mt-30 -92.17 116.22 28.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.545 -0.752 . . . . 74.21 110.008 -176.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -96.49 136.94 36.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.465 . . . . 74.33 109.743 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -157.63 -177.83 6.88 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.827 0.346 . . . . 53.22 110.255 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 21' ' ' PHE . 58.3 tp -134.31 125.24 27.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 74.5 109.882 -174.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -119.15 136.38 24.39 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 110.355 -0.239 . . . . 63.34 110.355 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 97.1 Cg_endo -79.21 154.22 24.95 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.788 2.326 . . . . 51.42 113.478 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -61.71 -31.87 72.05 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.356 -0.838 . . . . 70.21 111.121 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.96 -14.73 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.436 -0.802 . . . . 72.31 111.948 -175.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.03 157.76 26.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.72 0.295 . . . . 71.31 111.002 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.97 148.8 25.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.863 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.45 124.13 81.52 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.872 -0.604 . . . . 54.22 111.132 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 43' ' ' TRP . 58.0 Cg_endo -72.93 132.01 17.75 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.574 2.183 . . . . 75.04 112.199 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.79 128.19 31.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.96 -0.564 . . . . 52.4 110.992 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.31 -27.99 15.16 Favored Glycine 0 N--CA 1.453 -0.18 0 N-CA-C 111.54 -0.624 . . . . 61.12 111.54 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 74.9 m95 -96.74 114.13 25.75 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.834 -0.432 . . . . 65.54 109.834 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -99.28 138.21 36.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.175 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.8 t -73.79 125.32 32.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-N 116.29 -0.414 . . . . 42.52 110.705 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -103.12 -31.85 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.148 0.499 . . . . 54.42 110.197 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -129.47 124.08 33.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.154 -1.054 . . . . 72.55 108.154 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.35 -172.55 8.87 Favored Glycine 0 CA--C 1.518 0.252 0 O-C-N 123.526 0.516 . . . . 73.14 113.107 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -54.94 113.13 1.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.184 -0.302 . . . . 63.23 110.184 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.15 165.43 27.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 24.11 110.744 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 p -66.03 150.51 48.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.831 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.8 tpt180 -47.66 -49.84 26.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.165 -0.47 . . . . 61.4 111.592 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.6 73.07 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.827 0.346 . . . . 62.54 111.632 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -59.96 -49.76 76.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.587 0.708 . . . . 73.43 110.33 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.418 ' HB3' HD13 ' A' ' 32' ' ' LEU . 34.9 m -57.76 -45.56 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.816 -1.084 . . . . 64.42 110.466 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 52' ' ' ARG . 72.1 t -59.26 -47.95 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.461 -0.791 . . . . 63.11 110.763 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.56 -46.67 88.23 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.349 -0.387 . . . . 72.21 110.788 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.15 -55.8 30.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.769 0.319 . . . . 75.13 110.39 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.14 -44.85 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.095 -0.502 . . . . 73.44 111.187 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.486 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 32.0 t70 -54.02 -34.68 60.61 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.144 0.497 . . . . 75.12 111.628 -175.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -80.06 -36.02 36.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.909 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -95.3 13.58 25.17 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.391 1.256 . . . . 73.44 114.391 -169.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.486 ' CD1' ' HA ' ' A' ' 60' ' ' ASP . 83.7 m95 -58.02 -20.61 40.02 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 118.132 0.424 . . . . 75.22 111.796 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -36.86 -71.02 0.08 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.196 1.184 . . . . 62.45 114.196 -175.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' H ' HG23 ' A' ' 64' ' ' THR . 27.0 m-20 -93.44 126.53 38.63 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.328 0.492 . . . . 73.45 112.328 -167.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.0 mt -148.22 100.6 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 107.707 -1.22 . . . . 55.33 107.707 171.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.658 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 12.5 tpp180 -55.52 -53.78 58.55 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.646 0.61 . . . . 74.24 112.646 -168.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 75.0 Cg_exo -52.43 -28.01 33.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 122.324 2.016 . . . . 54.14 112.916 176.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? 64.13 103.43 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.303 -0.628 . . . . 61.4 109.303 -175.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 t -138.8 -164.53 1.66 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.321 -0.399 . . . . 33.04 110.411 -174.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.639 ' H ' HD23 ' A' ' 71' ' ' LEU . 2.2 pt? -131.44 154.68 48.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.425 -0.352 . . . . 51.23 110.244 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 11.9 tpt180 -168.88 171.35 8.49 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.885 -0.783 . . . . 54.12 108.885 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 1.5 mp0 -54.73 106.84 0.24 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.63 -0.507 . . . . 70.21 109.63 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HB2' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -70.06 104.78 2.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.091 -0.504 . . . . 75.42 110.203 -178.721 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 77' ' ' SER . 55.4 tp -83.71 144.14 29.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.458 -0.792 . . . . 72.41 110.214 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.78 22.53 3.1 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.442 -0.345 . . . . 72.54 110.792 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.403 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 32.8 t 61.18 98.29 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.724 -0.671 . . . . 75.32 110.27 -173.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.47 65.06 3.15 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 116.156 -0.475 . . . . 74.32 112.321 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -125.39 125.22 43.05 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.672 0.389 . . . . 65.34 110.255 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.865 -0.964 . . . . 64.22 111.477 179.189 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.85 0 N-CA-C 112.394 -0.283 . . . . 54.31 112.394 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -87.49 12.78 2.82 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.338 2.692 . . . . 55.43 112.579 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.02 -142.76 9.39 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.642 -0.583 . . . . 63.2 111.642 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -133.26 159.85 39.0 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 122.34 0.256 . . . . 64.22 110.447 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.4 mmt -88.87 129.67 35.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 62.22 110.159 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.537 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -157.05 154.47 29.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.389 -0.369 . . . . 72.41 110.368 179.494 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -86.42 107.08 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 74.52 109.976 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.5 ttt -155.6 155.08 32.68 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.491 -0.559 . . . . 64.41 109.491 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -69.46 151.22 46.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.782 0.325 . . . . 52.44 110.867 -177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.61 -48.89 73.21 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.866 -0.607 . . . . 71.14 110.523 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -124.64 86.38 55.68 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.697 -0.683 . . . . 72.51 110.67 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -96.46 0.4 1.96 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.077 2.518 . . . . 75.11 112.682 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -118.42 14.89 13.81 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.556 -0.293 . . . . 73.14 111.391 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -97.29 12.16 33.97 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.6 0.238 . . . . 64.53 111.626 -173.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' HB3' ' OD1' ' A' ' 17' ' ' ASP . 25.0 m-20 -80.32 132.18 35.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.519 0.199 . . . . 71.14 110.629 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.23 -26.23 67.27 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.354 -0.385 . . . . 72.15 111.744 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.452 ' OD1' ' HB3' ' A' ' 15' ' ' ASP . 7.0 p-10 -71.47 -20.35 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.401 . . . . 74.54 110.64 -178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.56 125.62 10.45 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.299 -0.72 . . . . 55.12 111.299 176.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.0 mtp -78.27 128.23 33.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 71.05 109.68 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -124.58 161.9 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.789 -0.449 . . . . 71.52 109.789 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -114.94 149.67 36.92 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.218 -0.29 . . . . 73.54 110.218 176.146 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.9 t -101.67 131.49 49.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.424 -0.584 . . . . 75.34 109.424 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.0 mp -118.02 165.57 13.58 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.444 0.465 . . . . 73.02 110.791 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.4 tt -142.7 153.16 17.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.794 -0.639 . . . . 72.04 110.043 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.38 147.7 48.05 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.368 -0.975 . . . . 75.55 108.368 172.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.73 -32.5 0.6 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.832 1.049 . . . . 61.45 113.832 -167.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 69' ' ' LYS . 1.6 pm0 -79.79 34.38 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.794 0.33 . . . . 73.21 111.129 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 53.92 28.27 8.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.807 -0.633 . . . . 74.33 112.108 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.516 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.5 mt-30 -83.78 115.97 22.48 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.156 -0.683 . . . . 74.21 109.156 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -109.16 137.33 47.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.085 -0.507 . . . . 74.33 109.792 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 t -146.07 -178.32 6.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.112 -0.494 . . . . 53.22 109.689 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -142.29 115.26 8.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.37 -0.604 . . . . 74.5 109.37 -174.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -113.91 134.64 22.08 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.467 -0.333 . . . . 63.34 110.153 -173.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.03 153.24 25.0 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.602 2.202 . . . . 51.42 112.733 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -61.45 -21.75 64.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.527 -0.761 . . . . 70.21 111.166 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.39 1.54 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 72.31 111.025 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.21 155.74 48.78 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.391 -0.368 . . . . 71.31 110.217 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -92.42 149.78 21.2 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.774 0.321 . . . . 73.44 110.604 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.78 129.3 92.92 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.679 -0.691 . . . . 54.22 111.926 -173.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.15 129.31 18.02 Favored 'Trans proline' 0 C--O 1.243 0.748 0 C-N-CA 122.772 2.315 . . . . 75.04 112.028 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.04 128.09 20.65 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.619 -0.719 . . . . 52.4 111.334 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.28 -28.56 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.733 -0.667 . . . . 61.12 112.16 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -88.0 124.65 33.95 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.973 -0.38 . . . . 65.54 109.973 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -101.33 132.89 46.66 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.692 0.282 . . . . 75.23 110.54 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 21' ' ' PHE . 64.7 t -74.31 113.45 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 42.52 110.623 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -88.16 -37.35 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 54.42 110.241 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.5 t80 -124.65 117.05 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.981 -0.748 . . . . 72.55 108.981 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.71 174.99 6.42 Favored Glycine 0 C--N 1.333 0.399 0 O-C-N 123.557 0.536 . . . . 73.14 112.5 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 122.11 10.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.474 0.654 . . . . 63.23 111.375 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.2 166.9 25.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 24.11 110.504 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.8 t -58.09 138.26 56.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 62.51 110.532 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.92 -49.45 30.04 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.801 -0.636 . . . . 61.4 111.883 -173.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.34 90.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.624 0.25 . . . . 62.54 111.071 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -60.22 -40.19 89.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.332 -0.395 . . . . 73.43 110.414 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.403 ' HB3' HD21 ' A' ' 32' ' ' LEU . 60.2 m -61.82 -49.18 77.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.034 -0.53 . . . . 64.42 110.797 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 52' ' ' ARG . 90.5 t -62.1 -41.87 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.98 -0.555 . . . . 63.11 110.61 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.2 -31.65 72.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 72.21 110.426 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -64.24 -50.31 68.49 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.4 -41.81 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.96 -0.564 . . . . 73.44 110.621 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 63' ' ' TRP . 4.7 t70 -51.33 -43.07 61.64 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.727 -0.67 . . . . 75.12 111.857 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -72.07 -34.55 68.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.141 0.496 . . . . 74.24 110.716 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -94.85 14.22 22.18 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.597 -0.729 . . . . 73.44 110.927 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 48.5 t-105 -50.24 -27.42 6.0 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.843 0.857 . . . . 75.22 112.842 -173.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 t -71.25 147.8 47.83 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.188 0.518 . . . . 62.45 111.657 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -144.89 157.22 44.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.95 -0.568 . . . . 73.45 109.594 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.2 mt -94.96 -27.23 4.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.291 0.567 . . . . 55.33 110.722 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.542 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 11.6 tpp85 57.57 46.27 1.88 Allowed Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 114.729 -1.123 . . . . 74.24 111.47 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 67' ' ' ARG . 55.7 Cg_endo -91.06 -0.02 4.87 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.362 2.042 . . . . 54.14 112.783 -174.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 5.4 tppp? -165.86 144.53 5.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.876 -0.416 . . . . 61.4 109.876 -176.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.565 ' HB2' ' O ' ' A' ' 69' ' ' LYS . 26.1 t 164.28 153.37 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.888 0.743 . . . . 33.04 110.042 169.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 71' ' ' LEU . 3.1 mm? -104.46 -9.99 18.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.987 -0.551 . . . . 51.23 110.089 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -164.47 97.84 0.79 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.257 -0.429 . . . . 54.12 110.7 -177.248 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.35 77.81 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.299 0.571 . . . . 70.21 110.039 174.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.539 ' HB3' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.64 -42.24 91.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.733 -0.667 . . . . 75.42 109.55 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 74' ' ' LYS . 6.5 mp -93.32 131.85 38.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.586 -0.733 . . . . 72.41 110.191 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.44 113.03 19.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.906 -0.588 . . . . 72.54 109.89 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 m -65.36 95.88 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.032 0.444 . . . . 75.32 110.601 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -155.83 116.67 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.615 -0.994 . . . . 74.32 110.615 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.72 86.96 0.68 Allowed 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.374 -0.602 . . . . 65.34 109.374 -177.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.528 -1.151 . . . . 64.22 111.27 -178.375 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 CA-C-O 119.537 -0.59 . . . . 54.31 111.783 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.41 106.75 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.866 2.378 . . . . 55.43 112.153 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.72 95.38 0.05 OUTLIER Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.884 -0.598 . . . . 63.2 112.58 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 m -77.59 91.0 3.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.836 -0.431 . . . . 64.22 109.836 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.9 ttt -126.77 124.38 39.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.896 -0.593 . . . . 62.22 110.388 -176.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 37.9 mmtm -135.51 141.13 45.22 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.96 -0.385 . . . . 72.41 109.96 176.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.58 132.11 69.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.061 0.458 . . . . 74.52 111.464 -174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.4 ttm -76.28 89.53 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 64.41 109.606 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -146.52 162.58 38.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.687 -0.688 . . . . 52.44 110.222 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.22 83.11 0.08 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.163 0.506 . . . . 71.14 109.659 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.591 ' ND2' ' HB2' ' A' ' 13' ' ' PHE . 32.7 p-10 -87.09 156.45 54.72 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.23 -0.895 . . . . 72.51 110.812 -177.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -65.84 -16.61 53.62 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.501 2.134 . . . . 75.11 111.723 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.591 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 31.5 m-85 -74.63 2.0 10.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 73.14 110.725 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HA ' ' NH2' ' A' ' 52' ' ' ARG . 75.8 m-20 -86.09 9.08 18.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.507 172.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.18 154.9 7.26 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.991 -0.549 . . . . 71.14 111.061 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -102.01 -36.11 8.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.94 -0.573 . . . . 72.15 111.212 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.79 -21.94 20.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 74.54 111.306 -171.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.91 144.12 46.13 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.682 -0.77 . . . . 55.12 111.592 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mmm -89.36 127.42 35.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.424 -0.584 . . . . 71.05 109.424 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -131.29 154.78 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.082 -0.71 . . . . 71.52 109.082 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -107.09 157.36 17.9 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.846 0.355 . . . . 73.54 111.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 59' ' ' VAL . 84.5 t -105.58 128.17 59.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 108.925 -0.769 . . . . 75.34 108.925 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.0 mt -110.63 173.83 6.15 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.946 0.778 . . . . 73.02 110.554 -176.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.552 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.7 tt -147.74 147.3 17.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.287 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 60.6 t30 -115.0 155.48 26.87 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.407 -0.96 . . . . 75.55 108.407 167.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.6 t70 -53.2 -16.45 1.23 Allowed 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.998 0.811 . . . . 61.45 111.463 -174.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 32.6 mt-10 -75.26 19.98 0.16 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.643 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.519 ' HG2' ' HD3' ' A' ' 67' ' ' ARG . 10.2 mm-40 52.96 26.03 4.42 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.299 0.571 . . . . 74.33 110.337 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.552 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 6.5 mm-40 -76.69 116.21 17.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 74.21 111.004 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -85.14 137.97 32.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.237 -0.892 . . . . 74.33 109.878 176.506 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -155.56 162.42 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.854 0.359 . . . . 53.22 110.083 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -129.31 128.61 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.78 -0.822 . . . . 74.5 108.78 -177.023 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -130.22 129.74 22.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.758 -0.201 . . . . 63.34 110.634 -172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.13 154.65 22.3 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.363 2.042 . . . . 51.42 112.639 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -63.79 -11.38 26.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.725 -0.671 . . . . 70.21 111.874 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -80.1 -3.44 48.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.369 -0.378 . . . . 72.31 111.413 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.83 165.81 25.07 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.689 0.28 . . . . 71.31 110.907 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.83 152.5 20.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.56 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.81 119.87 76.78 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.237 -0.438 . . . . 54.22 110.342 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.36 132.18 28.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.625 2.217 . . . . 75.04 112.682 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.73 35.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.844 -0.617 . . . . 52.4 110.915 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.96 -28.07 11.03 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 111.13 -0.788 . . . . 61.12 111.13 -175.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -101.57 143.53 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.927 -0.768 . . . . 65.54 108.927 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -121.15 151.92 39.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.097 -0.335 . . . . 75.23 110.097 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.547 ' HA ' HD23 ' A' ' 23' ' ' LEU . 42.5 t -76.03 127.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 42.52 109.777 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -105.15 -34.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.707 -0.479 . . . . 54.42 109.707 176.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -127.85 128.29 44.95 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.45 -0.944 . . . . 72.55 108.45 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 173.76 25.64 Favored Glycine 0 C--N 1.33 0.242 0 O-C-N 123.505 0.503 . . . . 73.14 112.85 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.59 110.93 0.97 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.327 0.584 . . . . 63.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.79 166.78 23.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.286 -0.87 . . . . 24.11 110.781 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -53.35 154.37 3.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.37 0.605 . . . . 62.51 111.881 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.5 tpt180 -50.33 -52.4 37.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.31 -0.859 . . . . 61.4 111.737 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.85 75.98 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.996 0.369 . . . . 62.54 111.996 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.1 m -57.23 -47.45 81.31 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.552 0.691 . . . . 73.43 110.154 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.502 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 m -59.97 -49.28 78.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.015 -0.993 . . . . 64.42 111.16 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 52' ' ' ARG . 76.1 t -58.9 -40.58 80.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.038 0.447 . . . . 63.11 110.609 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.03 -45.47 92.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.548 -0.751 . . . . 72.21 110.739 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -67.36 -39.09 85.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.93 0.395 . . . . 75.13 110.424 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG22 HG13 ' A' ' 22' ' ' VAL . 81.0 t -60.36 -39.12 79.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 73.44 110.244 175.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.57 -62.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.879 -0.601 . . . . 75.12 110.909 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -55.14 -23.54 21.69 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.633 0.605 . . . . 74.24 112.633 -173.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -80.51 13.23 2.58 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.728 0.299 . . . . 73.44 111.224 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -73.19 -17.05 61.41 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 122.318 -0.239 . . . . 75.22 110.947 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 p -19.83 -69.49 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.553 1.158 . . . . 62.45 113.743 -172.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -160.77 129.5 4.68 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.144 0.497 . . . . 73.45 110.016 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 70' ' ' SER . 0.7 OUTLIER -91.81 142.73 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.766 -0.652 . . . . 55.33 110.585 -179.68 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.551 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 46.8 mtp85 -65.35 -41.55 52.02 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.089 -0.505 . . . . 74.24 111.584 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 59.3 Cg_endo -71.88 166.41 29.62 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.712 1.608 . . . . 54.14 110.948 169.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 4.2 mptp? -73.37 140.6 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.965 0.412 . . . . 61.4 110.472 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.621 ' HB3' HD11 ' A' ' 66' ' ' ILE . 7.2 p -74.36 153.88 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.867 -0.606 . . . . 33.04 112.335 -171.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.29 143.46 31.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.501 -0.772 . . . . 51.23 109.363 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -87.04 93.27 9.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.321 0.581 . . . . 54.12 111.075 -173.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -143.06 148.51 36.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.301 -0.863 . . . . 70.21 108.81 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.716 ' HG3' HD22 ' A' ' 75' ' ' LEU . 21.4 pttp -128.5 -12.42 4.97 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.613 0.244 . . . . 75.42 111.613 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.716 HD22 ' HG3' ' A' ' 74' ' ' LYS . 3.3 mm? -117.5 -83.4 0.64 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.349 -0.611 . . . . 72.41 109.349 172.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 166.48 -39.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.655 -1.239 . . . . 72.54 107.655 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.6 t -159.01 -168.46 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.018 -1.446 . . . . 75.32 108.015 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.07 -55.76 0.5 Allowed Glycine 0 CA--C 1.512 -0.135 0 N-CA-C 110.168 -1.173 . . . . 74.32 110.168 171.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -147.12 -40.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.226 -1.027 . . . . 65.34 108.226 171.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.782 -1.01 . . . . 64.22 110.963 176.056 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 112.024 -0.43 . . . . 54.31 112.024 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -68.27 92.97 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.38 2.054 . . . . 55.43 111.94 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.98 -157.41 29.67 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.713 -0.676 . . . . 63.2 111.484 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.3 m -94.87 98.85 11.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.422 . . . . 64.22 110.738 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 84.5 mtp -99.62 161.69 13.46 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.538 -0.541 . . . . 62.22 109.538 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -80.45 142.14 34.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.367 -0.605 . . . . 72.41 109.367 179.701 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.6 pt -53.83 134.35 16.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 O-C-N 123.469 0.481 . . . . 74.52 111.435 -176.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtt -90.88 76.24 6.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.914 -0.584 . . . . 64.41 109.62 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -75.19 -33.16 61.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.864 -0.607 . . . . 52.44 109.551 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -72.05 91.45 1.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.273 -0.64 . . . . 71.14 109.273 175.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -140.34 148.86 55.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.657 -0.247 . . . . 72.51 110.866 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -88.82 7.55 4.26 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.872 2.381 . . . . 75.11 112.28 175.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.14 -20.49 34.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.554 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.71 16.28 25.45 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.539 0.685 . . . . 64.53 109.293 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.21 164.24 15.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.881 -0.6 . . . . 71.14 110.938 -177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -83.47 -25.11 31.45 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.913 -0.585 . . . . 72.15 112.373 -174.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -82.75 -23.61 33.89 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.08 0.4 . . . . 74.54 112.08 -172.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.11 146.48 30.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.922 -0.656 . . . . 55.12 112.595 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' THR . 69.3 mtp -102.45 127.62 49.41 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.921 -0.77 . . . . 71.05 108.921 174.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HD22 ' A' ' 32' ' ' LEU . 3.2 m-85 -131.74 159.12 39.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.866 -0.42 . . . . 71.52 109.866 -176.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -107.7 151.51 25.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.731 0.301 . . . . 73.54 110.892 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.5 t -100.54 126.95 54.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 N-CA-C 109.105 -0.702 . . . . 75.34 109.105 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 45' ' ' VAL . 62.4 mt -113.92 168.21 9.99 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.639 0.587 . . . . 73.02 110.194 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 28' ' ' GLU . 11.9 tt -143.02 131.22 19.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.301 174.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.574 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 59.1 t30 -92.53 154.69 18.29 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.862 -0.792 . . . . 75.55 108.862 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 28' ' ' GLU . 4.3 t70 -53.89 -26.62 25.91 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.958 0.786 . . . . 61.45 112.581 -166.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.0 mp0 -77.96 30.53 0.17 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.588 0.232 . . . . 73.21 110.618 174.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' ILE . 29.4 mm-40 53.07 29.73 8.53 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.129 0.572 . . . . 74.33 111.677 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.5 mt-30 -82.44 115.52 21.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.293 -0.632 . . . . 74.21 109.293 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.557 ' NE2' ' HA ' ' A' ' 63' ' ' TRP . 4.6 p-80 -103.4 131.98 50.04 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.11 -0.495 . . . . 74.33 109.773 -175.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -155.11 -177.79 6.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.014 -0.736 . . . . 53.22 109.014 -172.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.0 135.85 45.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.989 -0.551 . . . . 74.5 109.77 -169.069 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -133.05 131.48 21.87 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.537 -0.302 . . . . 63.34 110.261 -172.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.06 155.7 26.14 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.599 2.2 . . . . 51.42 112.886 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' MET . 17.8 p -59.91 -25.53 65.19 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.607 -0.724 . . . . 70.21 111.675 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.68 -11.04 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.502 -0.772 . . . . 72.31 111.739 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.1 156.57 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 71.31 111.259 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.49 152.63 21.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.972 -0.558 . . . . 73.44 110.347 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -70.63 117.22 53.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.601 . . . . 54.22 111.066 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.63 132.1 22.82 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.537 2.158 . . . . 75.04 111.838 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.83 128.08 34.91 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.034 -0.53 . . . . 52.4 110.695 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.9 -28.36 12.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.756 -0.656 . . . . 61.12 111.564 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -97.45 97.29 8.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.672 -0.492 . . . . 65.54 109.672 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -87.06 143.08 27.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.807 -0.633 . . . . 75.23 110.583 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.511 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.6 t -71.85 129.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 42.52 110.875 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -106.8 -35.04 2.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 54.42 109.782 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.3 132.77 39.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.683 -0.858 . . . . 72.55 108.683 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 177.96 43.42 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.021 -0.609 . . . . 73.14 112.615 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.42 117.5 3.62 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.855 0.359 . . . . 63.23 110.975 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.14 166.77 25.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 24.11 110.337 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -54.14 137.49 40.33 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.267 0.354 . . . . 62.51 111.011 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -44.02 43.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.427 -0.806 . . . . 61.4 111.768 -172.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.71 95.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.707 0.289 . . . . 62.54 111.51 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 m -65.35 -42.36 92.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.393 0.616 . . . . 73.43 109.641 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.5 m -56.76 -51.82 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.041 -0.981 . . . . 64.42 110.501 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.2 -39.37 82.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.005 -0.543 . . . . 63.11 110.71 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -58.04 -47.4 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 72.21 109.964 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -66.29 -46.05 78.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.05 -0.523 . . . . 75.13 110.598 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 55' ' ' CYS . 98.6 t -53.68 -40.56 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.721 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.7 -47.42 86.34 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.282 -0.417 . . . . 75.12 110.633 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -63.11 -38.7 92.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.107 0.479 . . . . 74.24 110.886 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -94.3 13.41 23.61 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.051 -0.522 . . . . 73.44 111.221 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.557 ' HA ' ' NE2' ' A' ' 30' ' ' HIS . 90.7 t90 -71.94 -34.35 68.96 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.588 -0.523 . . . . 75.22 109.588 174.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.7 m -69.93 142.63 52.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.145 -0.934 . . . . 62.45 111.114 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 t70 70.14 106.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.871 0.732 . . . . 73.45 111.78 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.89 HG22 ' HD2' ' A' ' 68' ' ' PRO . 35.3 mt -125.77 146.65 31.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.132 -0.692 . . . . 55.33 109.132 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.656 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 16.3 tpp180 -65.03 -59.87 9.2 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 111.87 0.322 . . . . 74.24 111.87 -172.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.89 ' HD2' HG22 ' A' ' 66' ' ' ILE . 83.6 Cg_endo -78.45 -177.77 4.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 121.904 1.736 . . . . 54.14 112.137 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -92.09 16.31 11.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.095 0.474 . . . . 61.4 110.146 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.9 m -73.3 108.8 6.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.824 -0.626 . . . . 33.04 111.279 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -110.52 140.85 44.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.216 -0.447 . . . . 51.23 110.153 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -120.27 133.41 55.47 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.265 -0.425 . . . . 54.12 110.318 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.74 118.59 9.17 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.196 -0.456 . . . . 70.21 109.903 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -81.38 74.6 8.37 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.061 -0.718 . . . . 75.42 109.061 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -85.46 -69.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.377 -0.829 . . . . 72.41 109.057 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.09 131.12 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.857 -0.61 . . . . 72.54 110.06 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.5 p -76.91 -74.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.962 0.41 . . . . 75.32 110.588 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.08 79.95 0.04 OUTLIER Glycine 0 C--N 1.331 0.293 0 N-CA-C 111.589 -0.604 . . . . 74.32 111.589 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -168.67 169.32 10.21 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.413 0.285 . . . . 65.34 110.28 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.66 -1.078 . . . . 64.22 111.588 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 CA-C-O 119.938 -0.368 . . . . 54.31 112.403 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.22 113.55 1.81 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.539 2.16 . . . . 55.43 111.698 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.91 -53.16 4.32 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 121.173 -0.537 . . . . 63.2 111.882 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m -62.06 -5.83 2.5 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.679 0.392 . . . . 64.22 111.816 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.0 ptp -59.51 -28.64 67.24 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.81 0.338 . . . . 62.22 110.877 175.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -80.71 85.31 6.09 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.804 -0.443 . . . . 72.41 109.804 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.5 pt -106.47 177.96 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.877 -0.601 . . . . 74.52 110.779 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.572 ' SD ' HD13 ' A' ' 75' ' ' LEU . 23.9 mmt -80.56 77.19 7.39 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.496 -0.557 . . . . 64.41 109.496 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -58.63 -48.13 82.04 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 52.44 110.235 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -148.82 129.77 14.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.732 -0.667 . . . . 71.14 109.51 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -111.64 83.06 4.17 Favored Pre-proline 0 N--CA 1.466 0.37 0 N-CA-C 109.657 -0.497 . . . . 72.51 109.657 174.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -83.71 -16.66 6.51 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.643 2.228 . . . . 75.11 112.499 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -77.24 -1.17 28.25 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.982 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -87.48 -17.38 32.29 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.138 -0.483 . . . . 64.53 110.114 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.43 157.98 34.65 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.814 -0.63 . . . . 71.14 110.329 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -112.85 -19.55 11.93 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.836 0.31 . . . . 72.15 111.836 -175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.61 -17.32 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.463 -175.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.39 162.2 41.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.058 -0.591 . . . . 55.12 112.019 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.3 mtp -105.53 127.73 53.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 6.6 m-85 -128.84 157.4 41.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.663 -0.495 . . . . 71.52 109.663 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -110.84 154.29 24.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.717 0.294 . . . . 73.54 111.056 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.4 t -107.77 122.32 61.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.683 -0.858 . . . . 75.34 108.683 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' CD2' HG22 ' A' ' 45' ' ' VAL . 35.3 mt -100.01 174.76 6.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.361 -0.836 . . . . 73.02 110.236 -176.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 28' ' ' GLU . 8.4 tt -153.21 144.48 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 72.04 110.819 173.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -102.72 147.07 27.29 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.98 -1.489 . . . . 75.55 106.98 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.05 -8.31 3.23 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.025 0.828 . . . . 61.45 112.07 -166.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.649 ' HG3' ' HG3' ' A' ' 29' ' ' GLN . 11.6 pt-20 -87.28 26.12 1.27 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.783 -0.644 . . . . 73.21 109.871 169.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.546 ' HA ' HD11 ' A' ' 24' ' ' ILE . 49.0 mt-10 62.93 23.35 13.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.119 -0.946 . . . . 74.33 111.586 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.712 ' HG2' ' HG ' ' A' ' 71' ' ' LEU . 16.9 mt-30 -85.88 116.3 24.04 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.286 -0.565 . . . . 74.21 110.089 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -98.34 155.25 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.27 -0.423 . . . . 74.33 109.955 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.0 t -160.11 147.85 16.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.948 -0.76 . . . . 53.22 108.948 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.59 117.54 34.43 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.567 -0.531 . . . . 74.5 109.567 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -120.89 135.36 24.71 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.183 -0.462 . . . . 63.34 110.275 -173.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.743 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 62.2 Cg_endo -87.63 155.17 7.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.612 2.208 . . . . 51.42 113.011 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 p -58.42 -24.64 60.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.828 -0.623 . . . . 70.21 111.694 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -68.34 -24.38 64.81 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.719 -0.673 . . . . 72.31 112.133 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.09 160.66 17.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.618 0.247 . . . . 71.31 111.284 -174.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.88 145.21 25.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.483 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.45 132.28 87.72 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.092 -0.504 . . . . 54.22 111.432 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.35 123.63 10.43 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.535 2.157 . . . . 75.04 112.146 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.49 128.26 22.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.644 -0.707 . . . . 52.4 110.942 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.14 15.04 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 116.038 -0.528 . . . . 61.12 111.793 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -97.55 125.36 42.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.657 -0.497 . . . . 65.54 109.657 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -100.43 143.03 31.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.412 -0.218 . . . . 75.23 110.412 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG22 ' CD2' ' A' ' 23' ' ' LEU . 60.5 t -72.03 116.05 13.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 110.072 -0.344 . . . . 42.52 110.072 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -92.3 -38.38 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 54.42 109.588 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.45 28.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.239 -1.023 . . . . 72.55 108.239 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.02 171.11 10.14 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.077 -0.582 . . . . 73.14 112.398 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.6 pt-20 -55.4 111.47 0.89 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.349 0.595 . . . . 63.23 110.159 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.14 167.41 21.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.134 -0.939 . . . . 24.11 110.489 -174.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.4 p -51.09 137.88 20.94 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.989 -0.55 . . . . 62.51 111.092 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 tpt85 -47.69 -43.17 26.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.634 -0.712 . . . . 61.4 112.3 -174.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.31 84.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 62.54 111.644 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 m -59.1 -46.98 86.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.407 0.622 . . . . 73.43 110.363 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . 24.2 m -59.62 -47.09 86.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.025 -0.989 . . . . 64.42 110.551 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 52' ' ' ARG . 81.5 t -58.74 -42.6 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.315 -0.402 . . . . 63.11 110.597 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -60.05 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 72.21 110.474 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.59 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 43.8 t80 -67.56 -39.71 84.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 75.13 110.936 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.6 t -65.52 -39.01 83.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.527 -0.306 . . . . 73.44 111.394 174.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.61 -35.66 81.25 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.603 0.239 . . . . 75.12 111.498 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 58' ' ' TYR . 13.9 pt20 -67.01 -1.59 4.31 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.745 0.276 . . . . 74.24 111.745 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -62.21 0.22 0.46 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.431 0.16 . . . . 73.44 111.431 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -56.9 -20.0 20.87 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.068 0.461 . . . . 75.22 109.949 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.8 m -48.22 138.41 9.7 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.482 -0.781 . . . . 62.45 110.196 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.9 106.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 73.45 111.432 -175.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.656 HG22 ' HD2' ' A' ' 68' ' ' PRO . 34.7 mm -85.11 132.04 32.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.847 -0.615 . . . . 55.33 109.359 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.509 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 26.2 mtm180 -65.63 -48.67 64.14 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 113.175 0.806 . . . . 74.24 113.175 -168.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.656 ' HD2' HG22 ' A' ' 66' ' ' ILE . 45.9 Cg_endo -65.37 -6.28 13.1 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.307 2.005 . . . . 54.14 112.706 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 69.65 -69.7 0.16 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.461 0.704 . . . . 61.4 111.286 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.9 m -75.65 88.01 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.969 0.414 . . . . 33.04 111.106 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.712 ' HG ' ' HG2' ' A' ' 29' ' ' GLN . 6.1 tt -83.57 108.08 16.45 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.913 -0.773 . . . . 51.23 108.913 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -118.39 127.99 54.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.257 0.551 . . . . 54.12 110.799 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -98.89 166.26 11.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.237 -0.892 . . . . 70.21 110.634 -172.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -103.17 176.78 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 75.42 109.801 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.572 HD13 ' SD ' ' A' ' 8' ' ' MET . 55.9 tp -79.92 125.12 29.33 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.368 0.604 . . . . 72.41 109.53 173.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.743 ' HB1' ' HD3' ' A' ' 34' ' ' PRO . . . -90.76 72.18 6.66 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.887 -1.051 . . . . 72.54 110.67 -175.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -167.94 166.26 13.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.77 -0.65 . . . . 75.32 110.264 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.01 -166.22 20.38 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.265 -0.734 . . . . 74.32 111.265 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -123.13 146.81 47.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.24 -0.281 . . . . 65.34 110.24 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 119.078 -0.845 . . . . 64.22 111.383 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.467 -0.653 . . . . 54.31 111.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -71.44 103.42 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.843 2.362 . . . . 55.43 111.771 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.37 152.95 6.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.206 -0.521 . . . . 63.2 111.898 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m -79.9 119.94 23.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.202 -0.295 . . . . 64.22 110.202 178.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.2 ttt -74.53 81.36 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.221 0.534 . . . . 62.22 109.772 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -115.03 108.12 16.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 72.41 110.103 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -136.89 174.62 11.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.745 -0.661 . . . . 74.52 109.961 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mtt -81.21 100.88 9.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.122 -0.325 . . . . 64.41 110.122 176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -80.36 119.02 22.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.493 . . . . 52.44 110.213 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 19.3 m-20 -73.96 155.5 38.58 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.689 -0.486 . . . . 71.14 109.689 176.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.92 107.63 1.23 Allowed Pre-proline 0 CA--C 1.536 0.436 0 O-C-N 123.369 0.418 . . . . 72.51 111.051 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 92.5 Cg_endo -79.46 -23.13 7.54 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.392 2.062 . . . . 75.11 111.614 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -90.69 8.05 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.567 -0.742 . . . . 73.14 110.811 -177.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -84.49 -12.79 53.58 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.25 0.548 . . . . 64.53 110.307 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -75.31 164.97 25.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.669 -0.696 . . . . 71.14 110.651 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.09 -16.25 9.81 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.625 -0.261 . . . . 72.15 111.654 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.14 -22.74 38.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.865 0.364 . . . . 74.54 110.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.99 146.01 35.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.074 -0.584 . . . . 55.12 111.644 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -91.1 127.36 36.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -126.91 149.66 49.69 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.777 -0.453 . . . . 71.52 109.777 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.28 153.58 19.85 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.944 0.402 . . . . 73.54 111.278 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 59' ' ' VAL . 58.8 t -103.78 127.93 57.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.183 -0.673 . . . . 75.34 109.183 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 45' ' ' VAL . 38.6 mt -114.12 170.13 8.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.641 -0.709 . . . . 73.02 110.214 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 28' ' ' GLU . 6.4 tt -151.02 144.81 16.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 120.965 0.412 . . . . 72.04 110.858 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 52.9 t30 -98.05 151.93 19.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.094 -1.076 . . . . 75.55 108.094 166.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 28' ' ' GLU . 17.5 t70 -63.33 -14.5 50.6 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.776 0.673 . . . . 61.45 110.494 -169.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.544 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 44.0 mt-10 -78.3 25.13 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.246 -0.888 . . . . 73.21 110.441 173.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.513 ' HA ' HD11 ' A' ' 24' ' ' ILE . 57.5 mm-40 53.42 37.96 26.8 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.254 0.622 . . . . 74.33 111.661 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 96.7 mt-30 -98.11 115.86 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.134 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -88.49 146.82 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 74.33 110.781 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 t -153.47 169.65 22.65 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.116 -0.328 . . . . 53.22 110.116 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.83 131.26 35.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.053 -0.721 . . . . 74.5 109.053 -176.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -134.45 135.89 24.68 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 123.092 0.245 . . . . 63.34 110.425 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -83.23 154.79 14.45 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.873 2.382 . . . . 51.42 112.9 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -60.96 -21.11 63.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.636 -0.711 . . . . 70.21 111.678 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -75.81 4.46 7.97 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.909 -0.587 . . . . 72.31 111.868 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.7 169.08 18.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.687 0.28 . . . . 71.31 111.145 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.37 147.43 23.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.355 -0.384 . . . . 73.44 109.999 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.68 122.26 73.01 Favored Pre-proline 0 CA--C 1.534 0.358 0 O-C-N 123.449 0.468 . . . . 54.22 110.623 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.65 134.22 40.03 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.428 2.086 . . . . 75.04 112.703 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.13 128.8 28.97 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 52.4 110.973 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -28.44 14.79 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.885 -0.598 . . . . 61.12 111.825 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -94.9 125.77 39.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.655 -0.498 . . . . 65.54 109.655 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.4 145.35 30.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 75.23 110.658 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.54 ' HA ' HD23 ' A' ' 23' ' ' LEU . 29.8 t -76.68 122.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.835 -0.62 . . . . 42.52 110.656 -177.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -100.62 -31.75 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.187 0.517 . . . . 54.42 110.042 177.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.11 131.7 35.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.796 -0.816 . . . . 72.55 108.796 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.02 179.72 13.17 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.142 -0.551 . . . . 73.14 112.301 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.22 110.62 1.27 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.929 0.395 . . . . 63.23 110.028 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . . . -134.18 167.01 21.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.918 -0.583 . . . . 24.11 111.103 -173.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.7 p -53.88 150.32 7.78 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.465 -0.789 . . . . 62.51 111.321 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 tpt180 -52.62 -52.53 54.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.627 -0.715 . . . . 61.4 111.495 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.76 76.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.364 -0.38 . . . . 62.54 111.759 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -57.9 -47.73 81.95 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.052 0.453 . . . . 73.43 110.421 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.556 ' O ' HG23 ' A' ' 59' ' ' VAL . 85.0 m -60.98 -48.14 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.441 -0.799 . . . . 64.42 111.128 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 52' ' ' ARG . 77.2 t -57.18 -48.74 81.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.712 0.292 . . . . 63.11 110.824 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.62 -47.4 86.37 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.515 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -63.04 -42.81 99.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.13 110.57 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.631 HG22 HG13 ' A' ' 22' ' ' VAL . 63.5 t -55.53 -50.09 68.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.014 -0.539 . . . . 73.44 110.638 176.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 26.6 t70 -58.27 -59.62 5.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.07 -0.514 . . . . 75.12 110.979 -176.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -52.45 -9.95 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.509 0.929 . . . . 74.24 113.509 -170.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' ASP . 15.1 m-70 -93.97 13.16 23.69 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.356 0.502 . . . . 73.44 112.356 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 34.3 p-90 -88.4 -7.29 56.88 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.744 -0.597 . . . . 75.22 110.9 175.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 t -54.54 -29.24 50.34 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.277 0.473 . . . . 62.45 112.277 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.82 95.99 1.82 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.699 0.285 . . . . 73.45 110.449 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.704 HG22 ' HD2' ' A' ' 68' ' ' PRO . 55.3 mt -98.15 138.89 21.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 109.012 -0.736 . . . . 55.33 109.012 175.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.736 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 3.8 tpp180 -69.11 -55.95 9.5 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 112.121 0.415 . . . . 74.24 112.121 -170.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 39.2 Cg_exo -57.69 148.03 76.56 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.25 1.967 . . . . 54.14 112.333 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -64.8 86.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.744 -0.836 . . . . 61.4 108.744 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 m -75.8 99.7 4.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.7 -0.682 . . . . 33.04 111.554 -173.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.48 -20.87 42.73 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.444 -0.576 . . . . 51.23 109.444 174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -78.69 46.0 0.63 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.384 -0.825 . . . . 54.12 109.957 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 41.0 tt0 -75.96 142.52 41.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 70.21 110.777 -176.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -151.06 -177.51 6.07 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.727 -0.67 . . . . 75.42 109.27 176.24 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.555 HD22 ' H ' ' A' ' 76' ' ' ALA . 3.1 tm? -152.93 140.43 19.74 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.842 0.353 . . . . 72.41 110.124 -177.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.555 ' H ' HD22 ' A' ' 75' ' ' LEU . . . -102.26 102.83 13.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 72.54 109.959 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.0 t -57.79 140.68 51.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.051 0.453 . . . . 75.32 110.616 -176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.38 -34.91 4.55 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 116.012 -0.54 . . . . 74.32 112.456 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 28.2 tt0 60.22 24.11 13.49 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.871 0.844 . . . . 65.34 109.859 -177.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.015 -0.993 . . . . 64.22 110.989 -179.059 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 111.518 -0.633 . . . . 55.12 111.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -97.39 129.92 44.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.727 -0.472 . . . . 71.05 109.727 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -120.77 161.52 21.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.586 -0.279 . . . . 71.52 110.537 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.7 149.86 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 73.54 110.53 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.439 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.0 t -99.19 125.11 52.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 109.02 -0.733 . . . . 75.34 109.02 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.5 mt -108.9 168.97 8.97 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.885 0.74 . . . . 73.02 110.197 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.4 tt -146.84 148.56 16.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.118 -0.492 . . . . 72.04 110.456 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 38.3 t-20 -114.43 150.05 35.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.297 -1.371 . . . . 75.55 107.297 168.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.14 -18.72 4.04 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.267 0.839 . . . . 61.45 113.267 -168.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 4.9 mp0 -81.44 29.26 0.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.943 -0.391 . . . . 73.21 109.943 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' HA ' HD11 ' A' ' 24' ' ' ILE . 29.2 mm-40 49.84 35.65 9.74 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.488 0.715 . . . . 74.33 111.386 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.535 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 30.6 mm-40 -83.81 116.21 22.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.722 . . . . 74.21 109.11 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -106.93 143.78 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.225 -0.287 . . . . 74.33 110.225 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 t -154.75 162.93 40.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.641 . . . . 53.22 109.268 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.1 tp -119.15 116.96 27.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 74.5 109.848 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -114.15 135.67 22.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 63.34 110.189 -171.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -84.37 154.35 12.33 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.902 2.401 . . . . 51.42 112.954 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -14.9 60.19 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.833 -0.622 . . . . 70.21 111.269 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -79.51 0.8 28.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.028 -0.533 . . . . 72.31 111.162 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.67 152.83 49.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 71.31 110.431 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -84.71 148.54 26.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.884 -0.413 . . . . 73.44 109.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 120.04 57.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 54.22 110.6 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.43 129.59 21.74 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.714 2.276 . . . . 75.04 112.573 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.55 34.25 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.833 -0.621 . . . . 52.4 110.636 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -19.97 27.51 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 111.468 -0.653 . . . . 61.12 111.468 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -111.43 130.86 55.57 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.831 -0.433 . . . . 65.54 109.831 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 44' ' ' ARG . 12.3 ptm180 -108.03 144.65 35.07 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.645 0.26 . . . . 75.23 110.345 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.519 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.0 t -75.66 113.41 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 42.52 110.654 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -89.43 -32.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.96 0.41 . . . . 54.42 110.016 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -131.21 121.57 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 72.55 108.743 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.53 173.94 11.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.354 -0.451 . . . . 73.14 112.719 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.02 115.0 1.97 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.058 0.456 . . . . 63.23 110.981 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.61 166.6 24.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 24.11 109.976 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 m -55.98 139.38 46.68 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 110.235 -0.283 . . . . 62.51 110.235 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -47.7 -34.65 8.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.534 0.568 . . . . 61.4 112.534 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.12 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.851 0.315 . . . . 62.54 111.851 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -64.88 -42.35 94.89 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.285 -0.635 . . . . 73.43 109.285 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.8 m -55.69 -53.47 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.06 -0.973 . . . . 64.42 110.579 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.042 -0.527 . . . . 63.11 111.016 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.49 -43.1 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.141 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -65.62 -54.38 28.55 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.03 -0.532 . . . . 75.13 110.755 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' CYS . 74.1 t . . . . . 0 N--CA 1.469 0.478 0 CA-C-O 120.935 0.398 . . . . 73.44 110.878 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.726 0 N-CA-C 111.263 -0.735 . . . . 55.12 111.263 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.0 mtp -74.58 127.62 33.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.726 -0.472 . . . . 71.05 109.726 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 52' ' ' ARG . 7.5 m-85 -126.13 169.91 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 71.52 110.1 -177.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.519 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -120.86 159.48 25.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.833 0.349 . . . . 73.54 110.765 175.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 46' ' ' VAL . 30.7 t -108.13 127.91 63.98 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.341 -0.985 . . . . 75.34 108.341 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 45' ' ' VAL . 67.1 mt -105.72 173.41 6.32 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.727 0.642 . . . . 73.02 111.016 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 10.9 tt -149.4 154.91 8.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.537 174.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.565 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.8 t-20 -125.26 150.19 47.29 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.64 -1.245 . . . . 75.55 107.64 168.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.24 -13.72 5.69 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.098 0.874 . . . . 61.45 112.969 -167.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.712 ' HG3' ' HG2' ' A' ' 29' ' ' GLN . 4.3 pt-20 -90.42 35.14 0.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.821 -0.807 . . . . 73.21 108.821 168.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' ASN . 36.0 mt-10 56.21 24.15 7.79 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 114.486 -1.234 . . . . 74.33 111.784 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.712 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 78.0 mm-40 -70.34 156.5 39.22 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.342 -0.614 . . . . 74.21 109.342 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -144.35 153.21 41.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.269 -0.271 . . . . 74.33 110.269 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 t -173.58 146.34 1.31 Allowed 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.916 -0.772 . . . . 53.22 108.916 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.98 115.48 30.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.165 -0.68 . . . . 74.5 109.165 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -115.06 134.11 22.57 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.585 -0.28 . . . . 63.34 110.39 -172.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -82.73 154.74 15.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.682 2.255 . . . . 51.42 113.393 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 p -62.17 -21.2 64.88 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.459 -0.791 . . . . 70.21 111.151 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -80.17 6.55 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.388 -0.824 . . . . 72.31 111.17 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.49 153.28 43.5 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.141 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.66 150.72 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.601 -0.272 . . . . 73.44 110.875 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.68 119.85 69.14 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-N 115.75 -0.659 . . . . 54.22 110.411 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.81 133.94 38.37 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.482 2.121 . . . . 75.04 112.202 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.46 128.24 33.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.052 -0.522 . . . . 52.4 110.381 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.85 -18.26 29.28 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.702 -0.559 . . . . 61.12 111.702 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -111.35 144.49 40.46 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.567 -0.531 . . . . 65.54 109.567 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -122.34 150.41 42.43 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.957 -0.386 . . . . 75.23 109.957 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.8 t -79.9 118.66 27.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 42.52 110.385 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' VAL . 4.3 m -95.23 -34.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.187 0.518 . . . . 54.42 109.864 176.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -125.4 113.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.836 -0.802 . . . . 72.55 108.836 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.98 -178.87 6.93 Favored Glycine 0 CA--C 1.52 0.4 0 O-C-N 123.463 0.477 . . . . 73.14 113.335 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 1.8 mp0 -55.14 119.02 4.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 122.57 0.348 . . . . 63.23 110.762 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.95 166.77 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 24.11 110.462 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.6 t -59.86 155.57 16.09 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.718 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.1 tpt180 -53.02 -49.62 65.91 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.945 -0.571 . . . . 61.4 111.422 -174.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.72 67.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.874 0.369 . . . . 62.54 111.664 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -67.44 -48.95 65.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.475 0.655 . . . . 73.43 110.111 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' VAL . 36.0 m -59.53 -48.71 80.59 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 64.42 110.307 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.2 t -60.44 -40.66 84.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.617 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.69 -47.15 86.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.984 -0.553 . . . . 72.21 110.176 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -64.08 -43.56 95.05 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.784 -0.366 . . . . 75.13 110.941 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 55' ' ' CYS . 71.9 t . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 120.918 0.389 . . . . 73.44 110.173 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 111.612 -0.595 . . . . 55.12 111.612 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' THR . 47.6 mtp -90.18 127.5 36.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.331 -0.618 . . . . 71.05 109.331 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' HB2' HD11 ' A' ' 32' ' ' LEU . 4.9 m-85 -128.64 161.62 29.23 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.552 -0.536 . . . . 71.52 109.552 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.13 147.17 34.19 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.627 0.251 . . . . 73.54 110.916 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 46' ' ' VAL . 92.0 t -96.74 129.11 47.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.328 -0.619 . . . . 75.34 109.328 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 45' ' ' VAL . 44.5 mt -113.13 169.99 8.54 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.866 -0.606 . . . . 73.02 110.279 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.4 tt -147.69 148.26 16.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.412 -0.358 . . . . 72.04 110.742 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.2 t30 -119.78 155.29 32.81 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.484 -0.932 . . . . 75.55 108.484 169.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 28' ' ' GLU . 36.6 t70 -50.5 -31.19 14.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.287 0.847 . . . . 61.45 113.287 -165.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.1 mp0 -74.57 29.51 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 122.19 -0.319 . . . . 73.21 111.124 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 26' ' ' ASP . 78.8 mm-40 50.37 32.52 6.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 122.666 0.386 . . . . 74.33 111.187 -173.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.0 mt-30 -72.47 115.65 11.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.679 -1.23 . . . . 74.21 107.679 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -108.41 131.93 54.27 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.918 -0.771 . . . . 74.33 108.918 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -154.15 178.02 10.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.122 0.487 . . . . 53.22 110.762 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 20' ' ' PHE . 42.2 tp -133.72 136.24 44.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.331 -0.849 . . . . 74.5 109.484 -174.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -132.09 131.49 22.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 110.419 -0.215 . . . . 63.34 110.419 -174.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 87.5 Cg_endo -77.97 155.82 30.29 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.594 2.196 . . . . 51.42 113.11 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 19' ' ' MET . 18.5 p -64.59 -13.95 55.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.798 -0.637 . . . . 70.21 111.322 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -77.12 -17.89 58.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.966 -0.561 . . . . 72.31 111.645 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.9 175.19 5.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.66 0.267 . . . . 71.31 111.214 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -107.35 152.61 23.92 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.089 -0.505 . . . . 73.44 110.713 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.94 122.92 84.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.942 -0.572 . . . . 54.22 110.819 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.92 133.39 29.05 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.61 2.207 . . . . 75.04 111.892 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.16 128.43 24.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.78 -0.646 . . . . 52.4 111.066 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.79 -28.2 12.89 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.052 -0.522 . . . . 61.12 111.908 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -95.01 134.09 38.07 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 110.321 -0.252 . . . . 65.54 110.321 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -109.56 150.3 28.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.205 -0.295 . . . . 75.23 110.205 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' A' ' 23' ' ' LEU . 36.3 t -81.83 114.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 42.52 110.524 -178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -90.61 -32.08 5.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.175 0.512 . . . . 54.42 110.017 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.96 125.39 26.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.909 -0.774 . . . . 72.55 108.909 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.5 176.16 14.74 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.336 -0.459 . . . . 73.14 112.317 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -55.34 111.19 0.82 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.435 0.636 . . . . 63.23 111.343 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.53 166.76 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.253 -0.885 . . . . 24.11 109.746 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -53.62 132.87 41.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.306 -0.406 . . . . 62.51 109.952 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.449 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.62 -38.76 15.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.814 -0.63 . . . . 61.4 111.403 -172.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.61 84.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.794 -0.184 . . . . 62.54 111.369 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -60.36 -39.99 89.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.51 0.672 . . . . 73.43 109.484 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.3 m -62.63 -47.07 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.866 -1.061 . . . . 64.42 110.777 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 52' ' ' ARG . 86.4 t -64.56 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 116.223 -0.444 . . . . 63.11 110.373 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.58 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.723 177.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.37 -56.96 15.15 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.554 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 55' ' ' CYS . 64.1 t . . . . . 0 N--CA 1.464 0.249 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.906 179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.136 0 N-CA-C 111.926 -0.47 . . . . 55.12 111.926 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.8 mtp -86.84 142.37 28.12 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.695 -0.854 . . . . 71.05 108.695 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 32' ' ' LEU . 12.2 m-85 -128.55 152.71 47.98 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.24 -0.184 . . . . 71.52 110.509 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 35' ' ' THR . 0.2 OUTLIER -107.43 147.55 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.889 -0.412 . . . . 73.54 109.889 171.544 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.524 ' O ' HG22 ' A' ' 46' ' ' VAL . 57.2 t -97.55 122.82 49.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 109.16 -0.681 . . . . 75.34 109.16 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.7 mt -109.53 160.22 16.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.602 -0.726 . . . . 73.02 109.808 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.9 tt -134.97 128.59 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.711 -0.477 . . . . 72.04 109.711 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.514 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 28.3 t-20 -77.18 147.94 36.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.99 -1.115 . . . . 75.55 107.99 173.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 28' ' ' GLU . 7.7 t70 -54.51 -26.12 29.75 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.066 0.854 . . . . 61.45 110.522 -173.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 1.5 mp0 -72.65 21.11 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.399 -0.819 . . . . 73.21 111.266 172.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 26' ' ' ASP . 47.4 mt-10 61.3 29.25 18.54 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.267 0.627 . . . . 74.33 110.754 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 88.1 mt-30 -89.85 125.1 35.21 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.763 -0.375 . . . . 74.21 110.705 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -84.47 142.15 30.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.209 -0.293 . . . . 74.33 110.209 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 p -155.18 162.71 40.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.438 . . . . 53.22 111.142 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 20' ' ' PHE . 31.5 tp -128.6 129.92 46.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.637 -0.875 . . . . 74.5 108.637 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -129.88 135.55 27.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.239 -0.282 . . . . 63.34 110.239 -172.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -79.23 151.74 23.51 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.682 2.255 . . . . 51.42 113.139 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 15.0 p -59.12 -30.57 68.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.341 -0.845 . . . . 70.21 112.093 -177.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.8 -25.34 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.842 -0.617 . . . . 72.31 111.069 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.83 147.91 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.582 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -87.23 149.62 24.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 73.44 110.45 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.14 121.57 78.94 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.04 -0.527 . . . . 54.22 110.902 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.29 131.93 18.55 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.653 2.236 . . . . 75.04 112.494 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.54 128.39 31.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.918 -0.583 . . . . 52.4 111.205 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 -23.41 21.32 Favored Glycine 0 N--CA 1.454 -0.165 0 N-CA-C 110.984 -0.846 . . . . 61.12 110.984 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CZ3' ' HB2' ' A' ' 25' ' ' ASN . 59.3 m95 -103.64 122.26 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.855 -0.795 . . . . 65.54 108.855 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -100.86 143.77 30.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.16 -0.311 . . . . 75.23 110.16 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.537 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.2 t -75.43 123.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 42.52 110.345 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.3 m -101.67 -34.52 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.598 -0.519 . . . . 54.42 109.598 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.84 120.22 19.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.487 -0.931 . . . . 72.55 108.487 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.26 -178.68 7.28 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.226 -0.511 . . . . 73.14 112.598 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.72 114.72 1.81 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.175 0.512 . . . . 63.23 110.673 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -140.94 166.96 23.36 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.633 -0.712 . . . . 24.11 110.462 -175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.5 t -62.46 152.91 33.08 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.721 -0.672 . . . . 62.51 111.082 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.4 tpt180 -47.31 -52.66 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.782 -1.099 . . . . 61.4 112.638 -176.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.96 79.28 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.0 0.37 . . . . 62.54 112.0 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 m -56.6 -47.29 79.9 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.401 0.62 . . . . 73.43 110.209 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' HG23 ' A' ' 59' ' ' VAL . 61.9 m -61.68 -51.35 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.996 -1.002 . . . . 64.42 111.001 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 52' ' ' ARG . 76.4 t -58.37 -44.33 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 120.948 0.404 . . . . 63.11 110.674 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 72.21 110.521 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.38 -46.29 87.17 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.472 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 55' ' ' CYS . 86.4 t . . . . . 0 C--O 1.235 0.308 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.733 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 CA-C-O 120.987 0.215 . . . . 55.12 112.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.7 mmm -104.11 126.8 51.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.594 -0.891 . . . . 71.05 108.594 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' HB2' HD11 ' A' ' 32' ' ' LEU . 3.6 m-85 -133.42 154.13 51.03 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.273 -0.64 . . . . 71.52 109.273 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 142.88 34.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.283 -0.265 . . . . 73.54 110.283 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.8 t -94.46 124.22 46.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 N-CA-C 109.093 -0.706 . . . . 75.34 109.093 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 45' ' ' VAL . 48.3 mt -106.84 167.11 10.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.661 -0.7 . . . . 73.02 110.185 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 28' ' ' GLU . 8.1 tt -146.92 136.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.104 -0.498 . . . . 72.04 110.036 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -92.36 150.97 20.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.481 -0.933 . . . . 75.55 108.481 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.09 -7.7 2.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.023 0.827 . . . . 61.45 112.252 -171.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.731 ' HG3' ' HB2' ' A' ' 29' ' ' GLN . 10.0 pt-20 -82.71 16.64 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.635 -0.505 . . . . 73.21 109.635 169.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 24' ' ' ILE . 40.9 mt-10 58.23 40.27 24.94 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 121.681 0.753 . . . . 74.33 110.238 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.731 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.0 116.63 32.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.33 -0.85 . . . . 74.21 110.109 -179.603 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -87.17 144.37 26.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.752 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 t -149.1 165.66 31.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.348 -0.612 . . . . 53.22 109.348 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 20' ' ' PHE . 44.9 tp -126.86 118.37 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.316 -0.624 . . . . 74.5 109.316 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.4 t-105 -116.76 125.61 28.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.352 -0.385 . . . . 63.34 110.133 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.85 156.04 27.03 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.672 2.248 . . . . 51.42 112.371 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 p -61.98 -15.12 41.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.039 -0.528 . . . . 70.21 111.578 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -70.22 -11.92 61.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.972 -0.558 . . . . 72.31 111.789 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.04 14.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.689 0.281 . . . . 71.31 111.097 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.9 152.65 21.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.396 -0.365 . . . . 73.44 110.596 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.59 120.73 79.19 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.082 -0.508 . . . . 54.22 111.49 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.68 133.95 19.48 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.717 2.278 . . . . 75.04 112.729 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.33 129.48 31.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.648 -0.705 . . . . 52.4 110.733 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.67 -23.83 21.12 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.472 -0.651 . . . . 61.12 111.472 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -107.76 118.99 38.19 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.427 -0.583 . . . . 65.54 109.427 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -100.2 142.03 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 75.23 110.144 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.538 ' HA ' HD23 ' A' ' 23' ' ' LEU . 30.6 t -74.34 112.68 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 42.52 110.453 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -87.71 -36.6 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.308 0.575 . . . . 54.42 109.61 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -130.53 124.77 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.437 -0.801 . . . . 72.55 108.872 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.78 178.37 8.98 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.185 -0.531 . . . . 73.14 112.512 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.66 111.2 0.85 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.312 0.577 . . . . 63.23 110.854 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.44 164.81 27.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.873 -0.603 . . . . 24.11 110.371 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -61.17 151.25 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.552 -0.295 . . . . 62.51 111.192 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.4 tpt180 -47.07 -48.82 22.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 61.4 111.742 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.57 89.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.687 -0.233 . . . . 62.54 111.134 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -60.33 -42.9 96.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.113 0.482 . . . . 73.43 110.406 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.513 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.4 m -61.89 -48.28 81.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.781 -0.645 . . . . 64.42 110.75 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 52' ' ' ARG . 85.5 t -59.01 -48.46 86.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.464 -0.334 . . . . 63.11 111.065 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.63 -44.48 96.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 72.21 110.394 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.17 -47.71 84.79 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.759 -0.655 . . . . 75.13 110.679 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 55' ' ' CYS . 97.9 t . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 116.005 -0.543 . . . . 73.44 110.676 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.258 0 N-CA-C 112.195 -0.362 . . . . 55.12 112.195 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 76.3 mtp -112.29 130.2 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.228 -0.656 . . . . 71.05 109.228 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 32' ' ' LEU . 8.1 m-85 -126.33 159.14 34.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.806 -0.442 . . . . 71.52 109.806 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -111.82 149.62 31.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.708 0.29 . . . . 73.54 110.486 177.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.502 ' O ' HG22 ' A' ' 46' ' ' VAL . 55.5 t -100.83 127.27 54.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.83 -0.804 . . . . 75.34 108.83 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp -114.29 167.4 10.73 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.815 0.341 . . . . 73.02 110.881 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.3 tt -139.08 141.97 34.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 115.572 -0.74 . . . . 72.04 110.241 174.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 47.1 t-20 -103.55 151.58 22.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.83 -1.174 . . . . 75.55 107.83 170.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -47.84 -29.72 3.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.064 0.853 . . . . 61.45 111.925 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 59.6 mm-40 -77.97 32.36 0.17 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.167 -0.469 . . . . 73.21 111.242 175.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HA ' HD11 ' A' ' 24' ' ' ILE . 12.0 mm-40 54.91 24.74 6.08 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.928 0.491 . . . . 74.33 111.705 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.6 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.1 mt-30 -81.65 115.99 21.18 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.29 -0.564 . . . . 74.21 109.964 -174.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -103.21 132.27 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.606 -0.27 . . . . 74.33 110.672 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -151.61 -177.81 6.32 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.583 -0.525 . . . . 53.22 109.583 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 20' ' ' PHE . 52.8 tp -134.0 120.98 20.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.654 -0.248 . . . . 74.5 110.375 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -114.22 135.17 22.15 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.376 -0.375 . . . . 63.34 110.347 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.09 154.6 22.41 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.641 2.227 . . . . 51.42 113.104 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -60.28 -27.68 67.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.869 -0.605 . . . . 70.21 111.617 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -79.44 2.55 21.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.759 -0.655 . . . . 72.31 111.774 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.16 156.99 42.02 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.766 0.317 . . . . 71.31 110.796 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -84.96 139.06 32.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.681 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.64 117.58 29.41 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 123.42 0.45 . . . . 54.22 110.159 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.3 127.86 13.91 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.456 2.104 . . . . 75.04 112.169 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.36 128.35 33.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.08 -0.509 . . . . 52.4 110.22 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.98 -19.31 27.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.644 -0.582 . . . . 61.12 111.644 -174.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -114.66 125.31 53.6 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 65.54 109.515 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -103.62 147.37 27.29 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.136 -0.32 . . . . 75.23 110.136 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.428 HG13 ' HB2' ' A' ' 21' ' ' PHE . 60.0 t -81.35 114.28 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.669 0.271 . . . . 42.52 110.466 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.22 -28.91 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.147 -0.478 . . . . 54.42 110.61 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -131.67 122.56 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.832 -0.803 . . . . 72.55 108.832 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.88 -178.02 6.24 Favored Glycine 0 C--N 1.331 0.257 0 O-C-N 123.572 0.545 . . . . 73.14 113.105 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 2.1 mp0 -55.71 111.4 0.9 Allowed 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.645 -0.502 . . . . 63.23 109.645 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.02 166.42 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 24.11 111.019 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 t -62.74 152.23 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 62.51 110.986 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -49.11 -52.83 23.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.257 -0.883 . . . . 61.4 112.492 -174.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.21 97.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.488 0.185 . . . . 62.54 111.129 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -61.4 -47.48 85.59 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.074 0.464 . . . . 73.43 110.464 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.8 m -59.55 -51.76 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.488 -0.778 . . . . 64.42 110.764 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.93 -38.66 81.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.016 -0.538 . . . . 63.11 110.518 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.84 -44.31 97.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.724 -0.671 . . . . 72.21 110.668 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -62.34 -49.01 77.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.062 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' CYS . 58.0 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 115.942 -0.572 . . . . 73.44 110.627 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.012 -0.435 . . . . 55.12 112.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mtp -81.37 127.73 33.08 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.41 -0.589 . . . . 71.05 109.41 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -118.66 152.1 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.338 -0.392 . . . . 71.52 110.279 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -106.95 148.62 28.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.036 -0.357 . . . . 73.54 110.036 172.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.7 t -98.6 123.57 51.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.876 -0.787 . . . . 75.34 108.876 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 45' ' ' VAL . 56.7 mt -103.19 172.0 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.949 0.781 . . . . 73.02 110.641 -175.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 4.1 tt -152.12 161.96 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.139 0.495 . . . . 72.04 111.031 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' HG12 ' A' ' 24' ' ' ILE . 26.7 t-20 -130.97 155.3 47.05 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.764 -1.198 . . . . 75.55 107.764 166.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.448 ' CG ' HH12 ' A' ' 44' ' ' ARG . 18.7 m-20 -55.21 -17.66 4.75 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.966 0.791 . . . . 61.45 112.001 -169.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.31 24.7 0.43 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.026 -0.534 . . . . 73.21 110.571 173.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 50.91 30.46 5.25 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.441 0.639 . . . . 74.33 110.613 -173.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.598 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 32.5 tt0 -83.75 116.19 22.57 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.299 -0.864 . . . . 74.21 108.754 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -114.84 143.91 44.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.818 0.342 . . . . 74.33 111.707 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -151.69 -177.67 6.25 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.694 -0.685 . . . . 53.22 109.551 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -134.57 134.86 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.941 -0.392 . . . . 74.5 109.941 -175.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.492 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 14.5 t-105 -136.19 139.26 29.49 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-N 116.918 -0.128 . . . . 63.34 111.054 -172.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -83.91 152.98 12.96 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.719 2.28 . . . . 51.42 113.157 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -62.38 -27.21 68.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.476 -0.783 . . . . 70.21 111.701 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -67.67 -13.08 61.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 72.31 111.319 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.0 153.96 46.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.591 0.234 . . . . 71.31 110.457 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.26 152.29 22.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.59 -0.277 . . . . 73.44 110.778 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.1 t -56.01 128.01 70.38 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.801 -0.636 . . . . 54.22 111.39 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.42 142.53 45.27 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 122.843 2.362 . . . . 75.04 112.548 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.17 130.23 25.92 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 52.4 111.328 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.66 18.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.883 -0.599 . . . . 61.12 112.29 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -98.51 156.87 16.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.666 0.233 . . . . 65.54 110.832 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.448 HH12 ' CG ' ' A' ' 26' ' ' ASP . 5.1 ptp180 -138.46 149.52 45.53 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.384 -0.371 . . . . 75.23 110.254 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' HA ' HD23 ' A' ' 23' ' ' LEU . 52.2 t -76.2 133.88 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.484 -0.326 . . . . 42.52 110.809 -177.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -112.87 -39.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.093 -0.706 . . . . 54.42 109.093 172.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.53 121.83 41.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.162 -1.051 . . . . 72.55 108.162 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 178.12 16.04 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.116 -0.564 . . . . 73.14 112.708 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 111.41 0.87 Allowed 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.282 0.563 . . . . 63.23 110.407 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.98 166.76 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.524 -0.762 . . . . 24.11 110.467 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 p -58.44 156.99 9.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 62.51 111.109 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.5 tpt180 -53.15 -52.31 59.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 61.4 111.599 -176.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.99 84.4 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.137 0.421 . . . . 62.54 112.137 -173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 p -59.01 -48.76 80.44 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.228 0.537 . . . . 73.43 110.748 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.7 m -59.39 -48.14 82.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.504 -0.771 . . . . 64.42 110.502 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 52' ' ' ARG . 84.4 t -62.6 -38.52 81.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 115.871 -0.604 . . . . 63.11 110.636 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.41 -43.32 94.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 72.21 110.351 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -62.21 -55.42 28.77 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.356 -0.384 . . . . 75.13 110.369 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 116.009 -0.541 . . . . 73.44 111.332 179.148 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 111.81 -0.516 . . . . 55.12 111.81 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.7 mmm -82.97 127.56 33.65 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.677 -0.86 . . . . 71.05 108.677 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -120.41 157.6 28.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.666 0.269 . . . . 71.52 110.777 -173.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -115.79 149.1 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 73.54 110.007 172.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 46' ' ' VAL . 21.7 t -106.02 129.79 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.933 -0.765 . . . . 75.34 108.933 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 45' ' ' VAL . 32.7 mt -107.8 173.73 6.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.847 -0.615 . . . . 73.02 110.875 -173.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.6 tt -147.32 148.54 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-O 121.0 0.429 . . . . 72.04 110.934 172.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.8 t30 -117.92 155.06 30.86 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.224 -1.028 . . . . 75.55 108.224 169.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 28' ' ' GLU . 27.8 m-20 -49.39 -30.2 7.45 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 124.017 0.823 . . . . 61.45 112.419 -168.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.522 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.1 mp0 -75.38 31.19 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.881 176.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.529 ' HA ' HD11 ' A' ' 24' ' ' ILE . 41.9 mm-40 49.95 27.04 2.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.436 0.694 . . . . 74.33 111.869 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 98.7 mt-30 -80.21 116.14 20.14 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.459 -0.571 . . . . 74.21 109.459 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -107.45 145.51 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.981 -0.378 . . . . 74.33 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -156.45 171.62 19.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.067 -0.716 . . . . 53.22 109.067 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 HG22 ' A' ' 22' ' ' VAL . 39.0 tp -123.37 130.18 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.675 -0.491 . . . . 74.5 109.675 -175.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.402 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 12.0 t-105 -130.43 135.2 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 63.34 110.393 -174.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -83.07 153.87 14.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.578 2.186 . . . . 51.42 112.711 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -64.41 -12.64 45.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.788 -0.642 . . . . 70.21 111.517 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -82.17 -6.94 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.559 . . . . 72.31 111.692 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.41 37.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.896 0.379 . . . . 71.31 111.401 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.49 141.41 44.92 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.368 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.62 123.55 88.05 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 110.029 -0.36 . . . . 54.22 110.029 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.13 125.73 15.78 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 122.424 2.082 . . . . 75.04 111.745 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.21 128.16 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 52.4 110.581 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.7 -27.56 12.0 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.656 -0.578 . . . . 61.12 111.656 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -98.92 116.13 30.45 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.782 -0.451 . . . . 65.54 109.782 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -95.13 145.6 24.89 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 110.167 -0.308 . . . . 75.23 110.167 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.5 t -76.69 113.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 42.52 110.388 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.09 -32.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.326 0.584 . . . . 54.42 109.614 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -125.17 108.18 11.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.055 -1.091 . . . . 72.55 108.055 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.16 175.0 4.4 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.148 -0.548 . . . . 73.14 112.498 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -55.02 119.34 5.29 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.397 0.618 . . . . 63.23 110.065 -177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.51 166.85 28.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 24.11 110.754 -172.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.9 m -56.29 147.78 20.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.279 -0.873 . . . . 62.51 111.644 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 tpt180 -47.14 -50.14 20.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.884 -1.053 . . . . 61.4 111.661 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.63 82.6 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.008 0.373 . . . . 62.54 112.008 -176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.28 -51.7 66.64 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.394 0.616 . . . . 73.43 110.2 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.3 m -56.97 -45.32 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.246 -0.888 . . . . 64.42 110.389 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 52' ' ' ARG . 75.5 t -63.66 -41.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.423 -0.353 . . . . 63.11 110.857 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.58 -42.8 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.29 -0.414 . . . . 72.21 110.57 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.423 ' HD2' HG11 ' A' ' 22' ' ' VAL . 82.2 t80 -70.41 -45.19 66.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.327 -0.549 . . . . 75.13 110.659 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' CYS . 68.2 t . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 116.61 -0.268 . . . . 73.44 111.049 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.07 -0.412 . . . . 55.12 112.07 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.432 ' O ' HG23 ' A' ' 35' ' ' THR . 80.3 mtp -96.43 127.63 42.61 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.606 -0.516 . . . . 71.05 109.606 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.403 ' HB2' HD22 ' A' ' 32' ' ' LEU . 3.6 m-85 -129.4 154.56 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.635 -0.506 . . . . 71.52 109.635 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 143.06 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.958 -0.386 . . . . 73.54 109.958 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 46' ' ' VAL . 58.6 t -95.79 128.82 46.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.315 -0.624 . . . . 75.34 109.315 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 45' ' ' VAL . 30.8 mt -114.46 167.03 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 73.02 109.491 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.8 tt -151.37 147.63 15.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.714 0.293 . . . . 72.04 110.42 175.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.562 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.6 t30 -110.87 155.64 22.31 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.75 -0.833 . . . . 75.55 108.75 170.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -58.66 -16.55 16.73 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.026 0.75 . . . . 61.45 113.026 -168.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 10.4 mp0 -83.73 34.04 0.48 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.099 -0.334 . . . . 73.21 110.099 170.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 49.19 30.33 3.0 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.08 0.552 . . . . 74.33 110.928 -177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 93.3 mt-30 -78.79 116.36 19.08 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.724 -0.473 . . . . 74.21 109.724 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -88.09 137.55 32.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.341 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 t -144.74 155.01 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.034 -0.358 . . . . 53.22 110.034 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -132.0 115.14 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.58 -0.896 . . . . 74.5 108.58 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -116.94 128.06 26.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 63.34 110.768 -170.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.51 157.8 36.39 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.593 2.195 . . . . 51.42 112.315 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 19' ' ' MET . 25.2 p -62.51 -14.1 37.93 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.735 -0.666 . . . . 70.21 111.984 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -79.02 0.17 28.78 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.059 -0.519 . . . . 72.31 111.905 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.87 163.38 32.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.851 0.357 . . . . 71.31 111.279 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -93.68 152.32 19.05 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.032 -0.531 . . . . 73.44 110.066 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.33 123.82 67.92 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.986 -0.552 . . . . 54.22 111.384 -177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -65.17 129.85 24.02 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.729 2.286 . . . . 75.04 112.585 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 128.14 19.72 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.322 -0.854 . . . . 52.4 111.157 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -27.96 12.39 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.99 -0.55 . . . . 61.12 111.918 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -95.41 135.58 36.86 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.178 -0.305 . . . . 65.54 110.178 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -102.88 142.54 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.603 -0.517 . . . . 75.23 109.603 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.544 ' HA ' HD23 ' A' ' 23' ' ' LEU . 41.0 t -79.43 112.29 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 42.52 110.6 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -90.46 -32.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.91 0.386 . . . . 54.42 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -138.42 127.01 23.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.098 -0.705 . . . . 72.55 109.098 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.81 174.06 29.6 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.222 -0.513 . . . . 73.14 112.222 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.65 111.06 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.261 0.553 . . . . 63.23 111.429 -177.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.46 166.39 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 24.11 109.624 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 t -62.52 164.42 7.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.826 0.346 . . . . 62.51 111.146 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.4 tpp180 -50.35 -52.51 36.42 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.79 -0.641 . . . . 61.4 111.945 -175.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.73 76.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.516 -0.311 . . . . 62.54 111.618 -173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -55.22 -47.5 75.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.462 0.648 . . . . 73.43 110.18 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 59' ' ' VAL . 76.0 m -61.91 -49.31 76.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.112 -0.949 . . . . 64.42 111.04 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' ARG . 83.1 t -59.72 -44.77 94.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.787 0.327 . . . . 63.11 110.818 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -47.65 84.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.035 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -61.19 -45.97 92.38 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.474 -0.785 . . . . 75.13 110.372 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 55' ' ' CYS . 95.5 t . . . . . 0 C--O 1.235 0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.508 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.202 -0.359 . . . . 55.12 112.202 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.1 mmm -92.57 126.99 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.882 -0.785 . . . . 71.05 108.882 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.7 m-85 -131.37 153.45 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 110.092 -0.336 . . . . 71.52 110.092 -177.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -105.53 154.43 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.523 -0.308 . . . . 73.54 110.343 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 46' ' ' VAL . 48.3 t -107.45 123.7 62.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.787 -0.82 . . . . 75.34 108.787 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 45' ' ' VAL . 39.1 mt -100.33 172.56 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.337 -0.847 . . . . 73.02 110.288 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 28' ' ' GLU . 11.3 tt -144.49 136.92 22.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 72.04 110.319 175.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 17.6 t30 -99.97 152.86 19.7 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.916 -1.142 . . . . 75.55 107.916 167.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -61.55 -4.26 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.997 0.74 . . . . 61.45 112.997 -166.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 43.3 mm-40 -90.74 24.57 2.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.45 -0.574 . . . . 73.21 109.45 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' ILE . 5.3 mm-40 56.57 28.28 13.67 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.905 0.882 . . . . 74.33 111.578 -174.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 53.4 mt-30 -78.07 116.75 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.21 110.503 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -85.04 152.78 23.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 74.33 110.022 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -166.4 135.62 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.665 -0.495 . . . . 53.22 109.665 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 20' ' ' PHE . 38.9 tp -93.69 122.63 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 74.5 110.088 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -122.87 128.88 25.21 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.181 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.43 155.58 24.9 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.735 2.29 . . . . 51.42 112.915 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -62.13 -20.57 64.21 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.656 -0.702 . . . . 70.21 111.389 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -78.07 -5.55 51.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 72.31 111.633 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.33 173.52 7.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 71.31 111.388 -176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -103.27 139.68 38.39 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.33 -0.396 . . . . 73.44 110.53 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.81 115.65 20.55 Favored Pre-proline 0 CA--C 1.535 0.368 0 O-C-N 123.47 0.481 . . . . 54.22 110.072 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.5 136.57 40.01 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.526 2.151 . . . . 75.04 112.362 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.42 128.32 33.76 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.641 -0.709 . . . . 52.4 110.78 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.75 -28.32 11.63 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.383 -0.687 . . . . 61.12 111.383 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -97.8 131.19 44.53 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.617 -0.512 . . . . 65.54 109.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -114.4 145.63 41.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.051 -0.351 . . . . 75.23 110.051 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.7 t -73.0 117.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 42.52 110.514 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -96.3 -35.54 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.255 0.55 . . . . 54.42 109.558 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.31 120.46 34.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.576 -0.898 . . . . 72.55 108.576 -176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.89 166.95 26.87 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.307 -0.473 . . . . 73.14 112.405 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.473 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.8 pt-20 -55.38 111.13 0.81 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.235 0.54 . . . . 63.23 110.337 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.44 167.04 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 24.11 111.034 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -54.49 145.23 18.98 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.867 -0.606 . . . . 62.51 111.085 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.3 tpt180 -47.73 -44.02 27.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.4 -0.818 . . . . 61.4 111.892 -175.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 62.54 111.771 -174.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.0 m -63.43 -44.55 94.23 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.587 0.708 . . . . 73.43 109.999 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.498 ' HB3' HD13 ' A' ' 32' ' ' LEU . 28.7 m -59.22 -48.48 81.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.125 -0.943 . . . . 64.42 110.398 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -60.96 -40.9 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.128 -0.487 . . . . 63.11 110.131 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.07 -43.73 78.25 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.542 -0.753 . . . . 72.21 110.533 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.468 ' CE2' HG21 ' A' ' 46' ' ' VAL . 67.0 t80 -70.49 -53.15 17.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.453 -0.339 . . . . 75.13 111.447 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 55' ' ' CYS . 93.7 t . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 120.878 0.371 . . . . 73.44 111.125 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.835 -0.106 . . . . 55.12 112.835 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.8 mmm -95.83 127.33 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.482 -0.933 . . . . 71.05 108.482 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' HD11 ' A' ' 32' ' ' LEU . 6.5 m-85 -131.91 163.19 28.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.9 -0.408 . . . . 71.52 109.9 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.501 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.45 149.49 30.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.919 -0.4 . . . . 73.54 109.919 175.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.413 ' C ' HD12 ' A' ' 23' ' ' LEU . 97.0 t -99.73 127.46 52.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 109.516 -0.55 . . . . 75.34 109.516 -177.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.4 mp -115.76 167.76 10.65 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.163 0.506 . . . . 73.02 110.631 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 28' ' ' GLU . 7.3 tt -145.94 148.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.419 -0.81 . . . . 72.04 109.676 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -103.78 152.24 22.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.027 -1.101 . . . . 75.55 108.027 169.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.0 t70 -54.18 -25.78 24.46 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.062 0.851 . . . . 61.45 112.157 -168.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.21 16.49 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.211 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.548 ' HA ' HD11 ' A' ' 24' ' ' ILE . 41.5 mt-10 61.78 34.71 17.11 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.844 0.857 . . . . 74.33 110.803 -177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.525 HE21 ' HH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -87.32 118.58 26.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.5 -0.773 . . . . 74.21 109.722 -179.479 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -84.97 138.9 32.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 74.33 111.355 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 p -149.97 175.41 11.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.39 -0.368 . . . . 53.22 110.875 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 21' ' ' PHE . 51.5 tp -141.26 132.26 26.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.474 -0.565 . . . . 74.5 109.474 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -127.65 134.43 26.18 Favored Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 122.865 0.103 . . . . 63.34 110.824 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -79.49 154.78 24.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.832 2.355 . . . . 51.42 112.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.408 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 18.0 p -62.34 -25.84 68.12 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.923 -0.58 . . . . 70.21 111.868 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.0 -9.8 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.832 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.26 150.37 48.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.665 0.269 . . . . 71.31 110.632 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.31 152.82 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.34 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.4 t -55.66 122.69 47.18 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 123.757 0.661 . . . . 54.22 110.897 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.62 123.87 9.8 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.52 2.147 . . . . 75.04 112.178 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.56 128.88 24.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.462 -0.79 . . . . 52.4 110.532 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.7 20.91 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.905 -0.588 . . . . 61.12 112.315 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HH2' HE21 ' A' ' 29' ' ' GLN . 76.5 m95 -108.9 150.86 27.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.759 0.279 . . . . 65.54 110.321 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -121.32 139.78 52.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.823 -0.436 . . . . 75.23 109.823 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -83.61 113.74 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.704 0.288 . . . . 42.52 111.086 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -89.81 -34.13 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.374 0.607 . . . . 54.42 110.723 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.82 119.94 26.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 72.55 108.311 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.8 -176.52 2.36 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 121.262 -0.495 . . . . 73.14 112.303 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 131.04 44.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.421 0.629 . . . . 63.23 111.496 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.61 163.54 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.222 -0.899 . . . . 24.11 109.634 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 p -57.16 140.48 49.4 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.659 0.266 . . . . 62.51 110.523 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -47.49 -40.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.611 -0.722 . . . . 61.4 111.233 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.77 79.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.76 -0.2 . . . . 62.54 111.059 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -60.96 -40.15 92.25 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.274 0.559 . . . . 73.43 109.768 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' HG23 ' A' ' 59' ' ' VAL . 41.3 m -58.15 -51.92 67.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.396 -0.82 . . . . 64.42 110.493 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.48 -37.3 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.858 -0.61 . . . . 63.11 110.842 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.06 -45.44 94.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 72.21 110.112 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -64.48 -50.52 67.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.593 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 55' ' ' CYS . 85.8 t . . . . . 0 CA--C 1.53 0.202 0 CA-C-N 116.408 -0.36 . . . . 73.44 110.577 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 111.344 -0.702 . . . . 55.12 111.344 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mmm -87.81 127.08 35.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.256 -0.646 . . . . 71.05 109.256 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.3 153.7 47.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.557 -0.535 . . . . 71.52 109.557 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.59 153.77 24.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.883 0.373 . . . . 73.54 110.851 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 46' ' ' VAL . 58.6 t -105.7 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.891 -0.781 . . . . 75.34 108.891 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.7 mt -112.29 174.12 6.04 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.975 0.797 . . . . 73.02 110.498 -175.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.7 tt -151.51 145.26 16.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.33 -0.395 . . . . 72.04 110.754 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 27.8 t-20 -106.8 158.88 16.65 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.265 -0.425 . . . . 75.55 109.88 174.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 m-20 -38.62 -44.87 1.02 Allowed 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.862 1.351 . . . . 61.45 112.858 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -75.58 26.2 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 73.21 111.03 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' A' ' 24' ' ' ILE . 44.5 mt-10 52.26 44.51 29.69 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.714 0.769 . . . . 74.33 109.973 -177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 99.4 mt-30 -91.61 115.62 28.2 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.037 -0.983 . . . . 74.21 109.165 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -88.48 149.53 23.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 74.33 110.596 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -159.46 169.71 23.31 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.608 -0.516 . . . . 53.22 109.608 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.69 132.21 48.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.483 -0.562 . . . . 74.5 109.483 -176.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -135.53 128.4 18.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 63.34 110.055 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 91.4 Cg_endo -83.22 155.9 14.68 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.702 2.268 . . . . 51.42 112.628 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 p -59.84 -24.88 64.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.873 -0.603 . . . . 70.21 111.445 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.4 ' HD2' ' HB2' ' A' ' 34' ' ' PRO . 29.5 m-85 -70.34 -8.96 54.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.519 -0.764 . . . . 72.31 111.292 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.51 156.65 38.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.67 0.271 . . . . 71.31 110.411 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.27 136.14 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 73.44 110.478 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -55.28 116.96 12.9 Favored Pre-proline 0 CA--C 1.536 0.427 0 O-C-N 123.368 0.417 . . . . 54.22 110.947 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 131.02 16.96 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.626 2.217 . . . . 75.04 112.727 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.87 128.32 34.5 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.993 -0.549 . . . . 52.4 110.218 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.45 -17.94 30.58 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.65 -0.58 . . . . 61.12 111.65 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -115.34 101.47 8.95 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.423 -0.584 . . . . 65.54 109.423 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -84.29 148.46 26.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.293 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.527 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.4 t -76.72 131.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 42.52 110.808 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -114.49 -29.72 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.06 0.457 . . . . 54.42 110.304 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.1 t80 -135.72 116.09 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.839 -0.8 . . . . 72.55 108.839 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.33 172.72 9.16 Favored Glycine 0 CA--C 1.52 0.385 0 O-C-N 123.366 0.416 . . . . 73.14 112.788 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.21 117.39 3.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.29 0.567 . . . . 63.23 111.32 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.32 166.16 25.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.444 -0.798 . . . . 24.11 110.237 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -54.91 146.37 17.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.809 0.338 . . . . 62.51 111.085 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.5 tpt180 -47.39 -49.04 25.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.584 -0.734 . . . . 61.4 111.734 -176.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.8 75.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.533 -0.303 . . . . 62.54 111.599 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -66.16 -42.61 88.77 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.201 0.524 . . . . 73.43 110.445 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.42 ' O ' HG23 ' A' ' 59' ' ' VAL . 23.1 m -64.73 -44.22 90.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 64.42 110.255 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 52' ' ' ARG . 85.9 t -63.42 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.09 0 CA-C-N 116.009 -0.542 . . . . 63.11 110.302 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -57.0 -49.47 75.67 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.78 -0.645 . . . . 72.21 110.149 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -62.4 -53.55 53.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.286 -0.87 . . . . 75.13 110.646 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 55' ' ' CYS . 84.8 t . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 116.242 -0.435 . . . . 73.44 111.429 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.462 0 N-CA-C 111.771 -0.532 . . . . 55.12 111.771 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.6 mtp -97.45 127.73 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.733 -0.469 . . . . 71.05 109.733 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.17 159.45 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HD2' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.02 149.78 28.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.396 0.141 . . . . 73.54 110.674 178.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.5 t -99.52 125.58 53.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 109.752 -0.462 . . . . 75.34 109.752 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -109.94 170.79 7.84 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.996 0.81 . . . . 73.02 110.466 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.554 HD11 ' HA ' ' A' ' 28' ' ' GLU . 7.2 tt -153.61 154.92 6.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-N 116.046 -0.525 . . . . 72.04 110.587 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 29' ' ' GLN . 56.7 t30 -127.41 156.22 42.41 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.771 -0.826 . . . . 75.55 108.771 171.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 28' ' ' GLU . 16.7 t70 -45.52 -28.33 0.91 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.53 0.937 . . . . 61.45 113.53 -166.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -78.01 27.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.272 -0.268 . . . . 73.21 110.661 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HA ' HD11 ' A' ' 24' ' ' ILE . 34.9 mm-40 47.98 28.61 1.48 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.469 0.652 . . . . 74.33 110.577 -169.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 60.1 tp60 -70.44 115.67 9.89 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.235 -0.893 . . . . 74.21 108.672 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -98.2 133.86 42.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.317 . . . . 74.33 110.863 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.3 t -141.22 163.93 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.384 -0.599 . . . . 53.22 109.384 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.89 115.37 12.71 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.288 -0.634 . . . . 74.5 109.288 -178.386 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -113.8 133.83 22.19 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.405 -0.118 . . . . 63.34 110.711 -174.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.7 155.54 24.04 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.857 2.372 . . . . 51.42 112.785 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 p -61.83 -24.75 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 70.21 111.468 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -78.31 4.52 12.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 72.31 111.877 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.02 153.64 46.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.119 -0.326 . . . . 71.31 110.119 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.18 152.57 21.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.911 0.386 . . . . 73.44 111.354 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.35 124.79 79.75 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.273 -0.876 . . . . 54.22 111.695 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.44 123.93 11.42 Favored 'Trans proline' 0 C--O 1.243 0.737 0 C-N-CA 122.607 2.205 . . . . 75.04 111.783 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.43 128.24 22.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.326 -0.852 . . . . 52.4 111.312 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.89 -28.09 11.88 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.78 -0.646 . . . . 61.12 111.678 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -94.65 131.3 40.58 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.845 -0.428 . . . . 65.54 109.845 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -104.19 136.54 43.6 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 110.073 -0.343 . . . . 75.23 110.073 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.3 125.18 38.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.312 -0.404 . . . . 42.52 110.398 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -100.29 -36.93 5.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.273 0.558 . . . . 54.42 110.528 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -123.47 121.99 37.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.628 -0.879 . . . . 72.55 108.628 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.29 178.6 6.34 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 121.051 -0.595 . . . . 73.14 112.413 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 1.1 pm0 -55.34 120.09 6.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.564 0.697 . . . . 63.23 110.86 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.37 166.49 24.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 24.11 109.734 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.37 141.05 58.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.569 . . . . 62.51 109.462 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.4 tmt_? -47.87 -39.21 18.11 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.428 0.455 . . . . 61.4 111.307 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.97 91.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.482 -0.326 . . . . 62.54 111.363 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -69.87 -40.42 75.75 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.627 0.727 . . . . 73.43 109.404 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.485 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 m -57.56 -51.07 70.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.121 -0.945 . . . . 64.42 110.016 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.4 t -63.63 -34.58 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 CA-C-N 115.844 -0.616 . . . . 63.11 110.388 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.42 -44.32 84.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.118 -0.492 . . . . 72.21 109.782 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -68.52 -54.56 15.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.271 -0.422 . . . . 75.13 110.92 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.8 t . . . . . 0 N--CA 1.466 0.372 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.851 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 N-CA-C 111.414 -0.674 . . . . 55.12 111.414 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.1 mmm -88.91 127.25 35.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 71.05 109.437 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 32' ' ' LEU . 4.0 m-85 -129.89 149.83 51.45 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.13 146.86 30.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.622 0.249 . . . . 73.54 111.131 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.2 t -98.02 125.72 51.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 109.189 -0.671 . . . . 75.34 109.189 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.4 mt -108.49 169.35 8.7 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.854 0.721 . . . . 73.02 110.241 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.1 tt -148.19 150.97 13.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.076 0.465 . . . . 72.04 111.271 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 56.4 t30 -119.71 153.94 34.87 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.333 -0.988 . . . . 75.55 108.333 168.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 28' ' ' GLU . 33.2 m-20 -53.17 -23.42 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.231 0.826 . . . . 61.45 113.231 -166.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 1.5 mp0 -75.56 19.96 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.76 0.314 . . . . 73.21 110.851 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 24' ' ' ILE . 30.3 mt-10 59.48 26.55 15.53 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.406 0.682 . . . . 74.33 110.505 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.575 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 97.6 mt-30 -76.57 115.93 16.78 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.17 -1.048 . . . . 74.21 108.17 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -123.68 143.16 50.43 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.185 -0.302 . . . . 74.33 110.185 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.4 t -163.04 172.94 14.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.771 -0.826 . . . . 53.22 108.771 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 20' ' ' PHE . 40.8 tp -118.59 133.83 55.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.044 -0.525 . . . . 74.5 110.216 -174.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -129.16 130.6 23.39 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.041 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.81 154.1 19.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.609 2.206 . . . . 51.42 112.979 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 p -63.62 -20.11 65.41 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.76 -0.655 . . . . 70.21 111.585 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -76.44 -2.32 31.47 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.134 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.65 161.8 26.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.621 -0.263 . . . . 71.31 110.538 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -96.14 152.6 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.331 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -76.5 124.68 87.97 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.001 -0.545 . . . . 54.22 110.921 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.03 126.45 15.2 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.606 2.204 . . . . 75.04 111.934 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.02 128.49 37.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.753 -0.658 . . . . 52.4 110.633 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 -27.99 11.44 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.534 -0.626 . . . . 61.12 111.534 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -93.85 129.52 40.23 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.424 -0.584 . . . . 65.54 109.424 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -107.71 141.77 38.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 75.23 110.596 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.531 ' HA ' HD23 ' A' ' 23' ' ' LEU . 26.7 t -74.11 115.19 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.824 -0.625 . . . . 42.52 110.294 -178.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -88.38 -35.4 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.214 0.53 . . . . 54.42 109.645 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -132.7 123.54 26.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.306 -0.861 . . . . 72.55 109.194 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.81 175.52 7.68 Favored Glycine 0 C--N 1.333 0.396 0 O-C-N 123.663 0.602 . . . . 73.14 112.599 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -57.29 111.99 1.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.102 0.477 . . . . 63.23 110.858 -178.455 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.34 165.56 25.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.801 -0.636 . . . . 24.11 110.382 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.8 t -59.28 154.52 16.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 62.51 111.052 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.3 tpt180 -47.47 -48.5 26.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.505 -0.77 . . . . 61.4 111.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.1 82.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.433 -0.349 . . . . 62.54 111.69 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -60.86 -45.59 93.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.131 0.491 . . . . 73.43 110.635 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' HB3' HD13 ' A' ' 32' ' ' LEU . 56.0 m -62.85 -42.97 99.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 64.42 110.832 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 52' ' ' ARG . 73.3 t -62.6 -43.75 98.77 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.038 0 CA-C-N 116.342 -0.39 . . . . 63.11 110.324 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.38 -46.73 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.819 -0.628 . . . . 72.21 110.31 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -62.35 -54.96 32.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.504 -0.771 . . . . 75.13 110.474 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.0 t . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.94 -0.573 . . . . 73.44 111.491 177.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.626 0 N-CA-C 111.776 -0.53 . . . . 55.12 111.776 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 83.1 mtp -72.81 127.6 33.02 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.348 -0.612 . . . . 71.05 109.348 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 9.4 m-85 -128.7 161.89 28.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.463 -0.569 . . . . 71.52 109.463 -178.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.6 150.82 28.42 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.44 -0.207 . . . . 73.54 110.44 177.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.4 t -99.3 126.01 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 108.752 -0.833 . . . . 75.34 108.752 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.1 mp -115.75 170.24 8.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.107 0.48 . . . . 73.02 111.004 -175.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.5 tt -143.89 136.57 23.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.364 -0.834 . . . . 72.04 110.002 173.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.3 t30 -94.42 153.58 17.88 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.649 -0.871 . . . . 75.55 108.649 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 28' ' ' GLU . 6.5 m-20 -63.85 -9.24 13.92 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.919 0.762 . . . . 61.45 111.314 -171.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 47.1 mt-10 -80.72 18.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 73.21 109.556 169.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.486 ' HA ' HD11 ' A' ' 24' ' ' ILE . 57.0 mt-10 59.82 31.16 20.64 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.544 0.738 . . . . 74.33 110.052 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 96.6 mt-30 -92.17 116.22 28.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.545 -0.752 . . . . 74.21 110.008 -176.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -96.49 136.94 36.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.465 . . . . 74.33 109.743 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -157.63 -177.83 6.88 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.827 0.346 . . . . 53.22 110.255 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 21' ' ' PHE . 58.3 tp -134.31 125.24 27.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 74.5 109.882 -174.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -119.15 136.38 24.39 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 110.355 -0.239 . . . . 63.34 110.355 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 97.1 Cg_endo -79.21 154.22 24.95 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.788 2.326 . . . . 51.42 113.478 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -61.71 -31.87 72.05 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.356 -0.838 . . . . 70.21 111.121 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.96 -14.73 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.436 -0.802 . . . . 72.31 111.948 -175.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.03 157.76 26.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.72 0.295 . . . . 71.31 111.002 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.97 148.8 25.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.863 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.45 124.13 81.52 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.872 -0.604 . . . . 54.22 111.132 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 43' ' ' TRP . 58.0 Cg_endo -72.93 132.01 17.75 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.574 2.183 . . . . 75.04 112.199 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.79 128.19 31.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.96 -0.564 . . . . 52.4 110.992 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.31 -27.99 15.16 Favored Glycine 0 N--CA 1.453 -0.18 0 N-CA-C 111.54 -0.624 . . . . 61.12 111.54 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 74.9 m95 -96.74 114.13 25.75 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.834 -0.432 . . . . 65.54 109.834 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -99.28 138.21 36.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.175 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.8 t -73.79 125.32 32.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-N 116.29 -0.414 . . . . 42.52 110.705 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -103.12 -31.85 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.148 0.499 . . . . 54.42 110.197 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -129.47 124.08 33.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.154 -1.054 . . . . 72.55 108.154 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.35 -172.55 8.87 Favored Glycine 0 CA--C 1.518 0.252 0 O-C-N 123.526 0.516 . . . . 73.14 113.107 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -54.94 113.13 1.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.184 -0.302 . . . . 63.23 110.184 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.15 165.43 27.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 24.11 110.744 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 p -66.03 150.51 48.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.831 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.8 tpt180 -47.66 -49.84 26.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.165 -0.47 . . . . 61.4 111.592 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.6 73.07 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.827 0.346 . . . . 62.54 111.632 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -59.96 -49.76 76.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.587 0.708 . . . . 73.43 110.33 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.418 ' HB3' HD13 ' A' ' 32' ' ' LEU . 34.9 m -57.76 -45.56 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.816 -1.084 . . . . 64.42 110.466 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 52' ' ' ARG . 72.1 t -59.26 -47.95 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.461 -0.791 . . . . 63.11 110.763 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.56 -46.67 88.23 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.349 -0.387 . . . . 72.21 110.788 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.15 -55.8 30.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.769 0.319 . . . . 75.13 110.39 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 CA--C 1.534 0.351 0 CA-C-N 116.095 -0.502 . . . . 73.44 111.187 176.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.79 0 N-CA-C 111.299 -0.72 . . . . 55.12 111.299 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.0 mtp -78.27 128.23 33.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 71.05 109.68 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -124.58 161.9 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.789 -0.449 . . . . 71.52 109.789 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -114.94 149.67 36.92 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.218 -0.29 . . . . 73.54 110.218 176.146 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.9 t -101.67 131.49 49.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.424 -0.584 . . . . 75.34 109.424 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.0 mp -118.02 165.57 13.58 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.444 0.465 . . . . 73.02 110.791 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.4 tt -142.7 153.16 17.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.794 -0.639 . . . . 72.04 110.043 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.38 147.7 48.05 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.368 -0.975 . . . . 75.55 108.368 172.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.73 -32.5 0.6 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.832 1.049 . . . . 61.45 113.832 -167.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -79.79 34.38 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.794 0.33 . . . . 73.21 111.129 176.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 53.92 28.27 8.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.807 -0.633 . . . . 74.33 112.108 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.516 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.5 mt-30 -83.78 115.97 22.48 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.156 -0.683 . . . . 74.21 109.156 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -109.16 137.33 47.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.085 -0.507 . . . . 74.33 109.792 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 t -146.07 -178.32 6.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.112 -0.494 . . . . 53.22 109.689 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -142.29 115.26 8.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.37 -0.604 . . . . 74.5 109.37 -174.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -113.91 134.64 22.08 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.467 -0.333 . . . . 63.34 110.153 -173.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.03 153.24 25.0 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.602 2.202 . . . . 51.42 112.733 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -61.45 -21.75 64.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.527 -0.761 . . . . 70.21 111.166 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.39 1.54 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 72.31 111.025 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.21 155.74 48.78 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.391 -0.368 . . . . 71.31 110.217 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -92.42 149.78 21.2 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.774 0.321 . . . . 73.44 110.604 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.78 129.3 92.92 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.679 -0.691 . . . . 54.22 111.926 -173.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.15 129.31 18.02 Favored 'Trans proline' 0 C--O 1.243 0.748 0 C-N-CA 122.772 2.315 . . . . 75.04 112.028 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.04 128.09 20.65 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.619 -0.719 . . . . 52.4 111.334 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.28 -28.56 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.733 -0.667 . . . . 61.12 112.16 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -88.0 124.65 33.95 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.973 -0.38 . . . . 65.54 109.973 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -101.33 132.89 46.66 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.692 0.282 . . . . 75.23 110.54 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 21' ' ' PHE . 64.7 t -74.31 113.45 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 42.52 110.623 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -88.16 -37.35 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 54.42 110.241 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.406 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.5 t80 -124.65 117.05 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.981 -0.748 . . . . 72.55 108.981 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.71 174.99 6.42 Favored Glycine 0 C--N 1.333 0.399 0 O-C-N 123.557 0.536 . . . . 73.14 112.5 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 122.11 10.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.474 0.654 . . . . 63.23 111.375 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.2 166.9 25.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 24.11 110.504 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.8 t -58.09 138.26 56.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 62.51 110.532 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.92 -49.45 30.04 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.801 -0.636 . . . . 61.4 111.883 -173.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.34 90.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.624 0.25 . . . . 62.54 111.071 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -60.22 -40.19 89.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.332 -0.395 . . . . 73.43 110.414 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.403 ' HB3' HD21 ' A' ' 32' ' ' LEU . 60.2 m -61.82 -49.18 77.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.034 -0.53 . . . . 64.42 110.797 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 52' ' ' ARG . 90.5 t -62.1 -41.87 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.98 -0.555 . . . . 63.11 110.61 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.2 -31.65 72.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 72.21 110.426 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -64.24 -50.31 68.49 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 N--CA 1.467 0.403 0 CA-C-N 115.96 -0.564 . . . . 73.44 110.621 175.137 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 111.592 -0.603 . . . . 55.12 111.592 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mmm -89.36 127.42 35.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.424 -0.584 . . . . 71.05 109.424 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -131.29 154.78 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.082 -0.71 . . . . 71.52 109.082 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -107.09 157.36 17.9 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.846 0.355 . . . . 73.54 111.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 59' ' ' VAL . 84.5 t -105.58 128.17 59.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 108.925 -0.769 . . . . 75.34 108.925 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.0 mt -110.63 173.83 6.15 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.946 0.778 . . . . 73.02 110.554 -176.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.552 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.7 tt -147.74 147.3 17.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.287 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 60.6 t30 -115.0 155.48 26.87 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.407 -0.96 . . . . 75.55 108.407 167.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.6 t70 -53.2 -16.45 1.23 Allowed 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.998 0.811 . . . . 61.45 111.463 -174.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 32.6 mt-10 -75.26 19.98 0.16 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.643 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 26' ' ' ASP . 10.2 mm-40 52.96 26.03 4.42 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.299 0.571 . . . . 74.33 110.337 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.552 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 6.5 mm-40 -76.69 116.21 17.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 74.21 111.004 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -85.14 137.97 32.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.237 -0.892 . . . . 74.33 109.878 176.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -155.56 162.42 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.854 0.359 . . . . 53.22 110.083 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -129.31 128.61 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.78 -0.822 . . . . 74.5 108.78 -177.023 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -130.22 129.74 22.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.758 -0.201 . . . . 63.34 110.634 -172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.13 154.65 22.3 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.363 2.042 . . . . 51.42 112.639 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -63.79 -11.38 26.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.725 -0.671 . . . . 70.21 111.874 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -80.1 -3.44 48.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.369 -0.378 . . . . 72.31 111.413 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.83 165.81 25.07 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.689 0.28 . . . . 71.31 110.907 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.83 152.5 20.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.56 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.81 119.87 76.78 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.237 -0.438 . . . . 54.22 110.342 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.36 132.18 28.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.625 2.217 . . . . 75.04 112.682 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.73 35.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.844 -0.617 . . . . 52.4 110.915 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.96 -28.07 11.03 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 111.13 -0.788 . . . . 61.12 111.13 -175.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -101.57 143.53 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.927 -0.768 . . . . 65.54 108.927 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -121.15 151.92 39.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.097 -0.335 . . . . 75.23 110.097 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.547 ' HA ' HD23 ' A' ' 23' ' ' LEU . 42.5 t -76.03 127.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 42.52 109.777 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -105.15 -34.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.707 -0.479 . . . . 54.42 109.707 176.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -127.85 128.29 44.95 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.45 -0.944 . . . . 72.55 108.45 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 173.76 25.64 Favored Glycine 0 C--N 1.33 0.242 0 O-C-N 123.505 0.503 . . . . 73.14 112.85 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.59 110.93 0.97 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.327 0.584 . . . . 63.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.79 166.78 23.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.286 -0.87 . . . . 24.11 110.781 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -53.35 154.37 3.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.37 0.605 . . . . 62.51 111.881 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.5 tpt180 -50.33 -52.4 37.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.31 -0.859 . . . . 61.4 111.737 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.85 75.98 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.996 0.369 . . . . 62.54 111.996 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.1 m -57.23 -47.45 81.31 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.552 0.691 . . . . 73.43 110.154 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.502 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 m -59.97 -49.28 78.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.015 -0.993 . . . . 64.42 111.16 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 52' ' ' ARG . 76.1 t -58.9 -40.58 80.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.038 0.447 . . . . 63.11 110.609 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.03 -45.47 92.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.548 -0.751 . . . . 72.21 110.739 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -67.36 -39.09 85.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.93 0.395 . . . . 75.13 110.424 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG22 HG13 ' A' ' 22' ' ' VAL . 81.0 t . . . . . 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 73.44 110.244 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.595 -0.202 . . . . 55.12 112.595 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' THR . 69.3 mtp -102.45 127.62 49.41 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.921 -0.77 . . . . 71.05 108.921 174.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HD22 ' A' ' 32' ' ' LEU . 3.2 m-85 -131.74 159.12 39.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.866 -0.42 . . . . 71.52 109.866 -176.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.457 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -107.7 151.51 25.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.731 0.301 . . . . 73.54 110.892 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.5 t -100.54 126.95 54.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 N-CA-C 109.105 -0.702 . . . . 75.34 109.105 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 45' ' ' VAL . 62.4 mt -113.92 168.21 9.99 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.639 0.587 . . . . 73.02 110.194 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 28' ' ' GLU . 11.9 tt -143.02 131.22 19.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.301 174.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.574 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 59.1 t30 -92.53 154.69 18.29 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.862 -0.792 . . . . 75.55 108.862 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 28' ' ' GLU . 4.3 t70 -53.89 -26.62 25.91 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.958 0.786 . . . . 61.45 112.581 -166.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.0 mp0 -77.96 30.53 0.17 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.588 0.232 . . . . 73.21 110.618 174.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' ILE . 29.4 mm-40 53.07 29.73 8.53 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.129 0.572 . . . . 74.33 111.677 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.5 mt-30 -82.44 115.52 21.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.293 -0.632 . . . . 74.21 109.293 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -103.4 131.98 50.04 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.11 -0.495 . . . . 74.33 109.773 -175.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -155.11 -177.79 6.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.014 -0.736 . . . . 53.22 109.014 -172.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.0 135.85 45.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.989 -0.551 . . . . 74.5 109.77 -169.069 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -133.05 131.48 21.87 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.537 -0.302 . . . . 63.34 110.261 -172.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.06 155.7 26.14 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.599 2.2 . . . . 51.42 112.886 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' MET . 17.8 p -59.91 -25.53 65.19 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.607 -0.724 . . . . 70.21 111.675 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.68 -11.04 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.502 -0.772 . . . . 72.31 111.739 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.1 156.57 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 71.31 111.259 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.49 152.63 21.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.972 -0.558 . . . . 73.44 110.347 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -70.63 117.22 53.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.601 . . . . 54.22 111.066 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.63 132.1 22.82 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.537 2.158 . . . . 75.04 111.838 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.83 128.08 34.91 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.034 -0.53 . . . . 52.4 110.695 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.9 -28.36 12.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.756 -0.656 . . . . 61.12 111.564 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -97.45 97.29 8.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.672 -0.492 . . . . 65.54 109.672 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -87.06 143.08 27.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.807 -0.633 . . . . 75.23 110.583 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.511 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.6 t -71.85 129.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 42.52 110.875 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -106.8 -35.04 2.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 54.42 109.782 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.3 132.77 39.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.683 -0.858 . . . . 72.55 108.683 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 177.96 43.42 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.021 -0.609 . . . . 73.14 112.615 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.42 117.5 3.62 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.855 0.359 . . . . 63.23 110.975 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.14 166.77 25.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 24.11 110.337 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -54.14 137.49 40.33 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.267 0.354 . . . . 62.51 111.011 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -44.02 43.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.427 -0.806 . . . . 61.4 111.768 -172.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.71 95.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.707 0.289 . . . . 62.54 111.51 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 m -65.35 -42.36 92.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.393 0.616 . . . . 73.43 109.641 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.5 m -56.76 -51.82 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.041 -0.981 . . . . 64.42 110.501 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.2 -39.37 82.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.005 -0.543 . . . . 63.11 110.71 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -58.04 -47.4 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 72.21 109.964 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -66.29 -46.05 78.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.05 -0.523 . . . . 75.13 110.598 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 55' ' ' CYS . 98.6 t . . . . . 0 N--CA 1.467 0.381 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.721 176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 112.019 -0.432 . . . . 55.12 112.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.3 mtp -105.53 127.73 53.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 6.6 m-85 -128.84 157.4 41.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.663 -0.495 . . . . 71.52 109.663 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -110.84 154.29 24.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.717 0.294 . . . . 73.54 111.056 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.4 t -107.77 122.32 61.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.683 -0.858 . . . . 75.34 108.683 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' CD2' HG22 ' A' ' 45' ' ' VAL . 35.3 mt -100.01 174.76 6.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.361 -0.836 . . . . 73.02 110.236 -176.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 28' ' ' GLU . 8.4 tt -153.21 144.48 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 72.04 110.819 173.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -102.72 147.07 27.29 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.98 -1.489 . . . . 75.55 106.98 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.05 -8.31 3.23 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.025 0.828 . . . . 61.45 112.07 -166.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.649 ' HG3' ' HG3' ' A' ' 29' ' ' GLN . 11.6 pt-20 -87.28 26.12 1.27 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.783 -0.644 . . . . 73.21 109.871 169.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.546 ' HA ' HD11 ' A' ' 24' ' ' ILE . 49.0 mt-10 62.93 23.35 13.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.119 -0.946 . . . . 74.33 111.586 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.649 ' HG3' ' HG3' ' A' ' 27' ' ' GLU . 16.9 mt-30 -85.88 116.3 24.04 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.286 -0.565 . . . . 74.21 110.089 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -98.34 155.25 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.27 -0.423 . . . . 74.33 109.955 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.0 t -160.11 147.85 16.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.948 -0.76 . . . . 53.22 108.948 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.59 117.54 34.43 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.567 -0.531 . . . . 74.5 109.567 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -120.89 135.36 24.71 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.183 -0.462 . . . . 63.34 110.275 -173.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -87.63 155.17 7.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.612 2.208 . . . . 51.42 113.011 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 p -58.42 -24.64 60.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.828 -0.623 . . . . 70.21 111.694 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -68.34 -24.38 64.81 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.719 -0.673 . . . . 72.31 112.133 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.09 160.66 17.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.618 0.247 . . . . 71.31 111.284 -174.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.88 145.21 25.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.483 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.45 132.28 87.72 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.092 -0.504 . . . . 54.22 111.432 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.35 123.63 10.43 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.535 2.157 . . . . 75.04 112.146 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.49 128.26 22.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.644 -0.707 . . . . 52.4 110.942 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.14 15.04 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 116.038 -0.528 . . . . 61.12 111.793 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -97.55 125.36 42.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.657 -0.497 . . . . 65.54 109.657 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -100.43 143.03 31.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.412 -0.218 . . . . 75.23 110.412 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG22 ' CD2' ' A' ' 23' ' ' LEU . 60.5 t -72.03 116.05 13.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 110.072 -0.344 . . . . 42.52 110.072 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -92.3 -38.38 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 54.42 109.588 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.45 28.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.239 -1.023 . . . . 72.55 108.239 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.02 171.11 10.14 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.077 -0.582 . . . . 73.14 112.398 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.6 pt-20 -55.4 111.47 0.89 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.349 0.595 . . . . 63.23 110.159 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.14 167.41 21.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.134 -0.939 . . . . 24.11 110.489 -174.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.4 p -51.09 137.88 20.94 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.989 -0.55 . . . . 62.51 111.092 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 tpt85 -47.69 -43.17 26.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.634 -0.712 . . . . 61.4 112.3 -174.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.31 84.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 62.54 111.644 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 m -59.1 -46.98 86.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.407 0.622 . . . . 73.43 110.363 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . 24.2 m -59.62 -47.09 86.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.025 -0.989 . . . . 64.42 110.551 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 52' ' ' ARG . 81.5 t -58.74 -42.6 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.315 -0.402 . . . . 63.11 110.597 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -60.05 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 72.21 110.474 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -67.56 -39.71 84.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 75.13 110.936 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.6 t . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 116.527 -0.306 . . . . 73.44 111.394 174.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 111.644 -0.582 . . . . 55.12 111.644 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -91.1 127.36 36.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -126.91 149.66 49.69 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.777 -0.453 . . . . 71.52 109.777 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.28 153.58 19.85 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.944 0.402 . . . . 73.54 111.278 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 59' ' ' VAL . 58.8 t -103.78 127.93 57.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.183 -0.673 . . . . 75.34 109.183 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 45' ' ' VAL . 38.6 mt -114.12 170.13 8.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.641 -0.709 . . . . 73.02 110.214 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 28' ' ' GLU . 6.4 tt -151.02 144.81 16.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 120.965 0.412 . . . . 72.04 110.858 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 52.9 t30 -98.05 151.93 19.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.094 -1.076 . . . . 75.55 108.094 166.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 28' ' ' GLU . 17.5 t70 -63.33 -14.5 50.6 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.776 0.673 . . . . 61.45 110.494 -169.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -78.3 25.13 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.246 -0.888 . . . . 73.21 110.441 173.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.513 ' HA ' HD11 ' A' ' 24' ' ' ILE . 57.5 mm-40 53.42 37.96 26.8 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.254 0.622 . . . . 74.33 111.661 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 96.7 mt-30 -98.11 115.86 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.134 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -88.49 146.82 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 74.33 110.781 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 t -153.47 169.65 22.65 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.116 -0.328 . . . . 53.22 110.116 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.83 131.26 35.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.053 -0.721 . . . . 74.5 109.053 -176.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -134.45 135.89 24.68 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 123.092 0.245 . . . . 63.34 110.425 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -83.23 154.79 14.45 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.873 2.382 . . . . 51.42 112.9 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -60.96 -21.11 63.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.636 -0.711 . . . . 70.21 111.678 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -75.81 4.46 7.97 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.909 -0.587 . . . . 72.31 111.868 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.7 169.08 18.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.687 0.28 . . . . 71.31 111.145 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.37 147.43 23.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.355 -0.384 . . . . 73.44 109.999 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.68 122.26 73.01 Favored Pre-proline 0 CA--C 1.534 0.358 0 O-C-N 123.449 0.468 . . . . 54.22 110.623 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.65 134.22 40.03 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.428 2.086 . . . . 75.04 112.703 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.13 128.8 28.97 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 52.4 110.973 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -28.44 14.79 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.885 -0.598 . . . . 61.12 111.825 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -94.9 125.77 39.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.655 -0.498 . . . . 65.54 109.655 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.4 145.35 30.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 75.23 110.658 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.54 ' HA ' HD23 ' A' ' 23' ' ' LEU . 29.8 t -76.68 122.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.835 -0.62 . . . . 42.52 110.656 -177.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -100.62 -31.75 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.187 0.517 . . . . 54.42 110.042 177.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.11 131.7 35.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.796 -0.816 . . . . 72.55 108.796 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.02 179.72 13.17 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.142 -0.551 . . . . 73.14 112.301 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.22 110.62 1.27 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.929 0.395 . . . . 63.23 110.028 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . . . -134.18 167.01 21.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.918 -0.583 . . . . 24.11 111.103 -173.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.7 p -53.88 150.32 7.78 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.465 -0.789 . . . . 62.51 111.321 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 tpt180 -52.62 -52.53 54.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.627 -0.715 . . . . 61.4 111.495 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.76 76.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.364 -0.38 . . . . 62.54 111.759 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -57.9 -47.73 81.95 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.052 0.453 . . . . 73.43 110.421 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.556 ' O ' HG23 ' A' ' 59' ' ' VAL . 85.0 m -60.98 -48.14 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.441 -0.799 . . . . 64.42 111.128 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 52' ' ' ARG . 77.2 t -57.18 -48.74 81.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.712 0.292 . . . . 63.11 110.824 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.62 -47.4 86.37 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.515 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -63.04 -42.81 99.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.13 110.57 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.631 HG22 HG13 ' A' ' 22' ' ' VAL . 63.5 t . . . . . 0 C--O 1.235 0.322 0 CA-C-N 116.014 -0.539 . . . . 73.44 110.638 176.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.063 -0.415 . . . . 54.31 112.063 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -78.0 168.02 22.67 Favored 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.805 2.337 . . . . 55.43 111.657 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.66 134.27 2.74 Favored Glycine 0 C--O 1.237 0.325 0 C-N-CA 120.863 -0.684 . . . . 63.2 112.462 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -82.17 149.42 27.94 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.995 -0.372 . . . . 64.22 109.995 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 mmt -83.13 -14.97 52.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.393 . . . . 62.22 110.339 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -133.69 125.23 28.2 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.187 -0.461 . . . . 72.41 110.323 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.4 pt -87.13 2.79 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.083 -0.508 . . . . 74.52 111.45 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.6 mmm -68.43 128.16 35.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.375 -0.375 . . . . 64.41 111.538 -175.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 p -97.02 29.42 3.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.32 0.581 . . . . 52.44 109.918 175.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.578 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 21.3 t70 -70.81 168.63 16.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.372 -0.831 . . . . 71.14 110.937 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -108.1 83.78 1.94 Allowed Pre-proline 0 CA--C 1.532 0.257 0 C-N-CA 122.735 0.414 . . . . 72.51 110.69 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 58.3 Cg_endo -101.77 -8.89 0.24 Allowed 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.202 2.602 . . . . 75.11 113.238 176.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -94.71 -13.09 26.09 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.731 0.3 . . . . 73.14 111.256 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -115.35 18.13 16.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 64.53 111.247 -176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -81.05 112.97 18.92 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.821 -0.437 . . . . 71.14 109.821 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.532 ' HB3' ' HE ' ' A' ' 52' ' ' ARG . 9.2 pt-20 -64.29 -13.48 50.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.082 0.468 . . . . 72.15 110.859 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.19 -18.4 62.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.521 -0.763 . . . . 74.54 110.167 175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.78 156.72 22.6 Favored Glycine 0 N--CA 1.451 -0.314 0 N-CA-C 111.518 -0.633 . . . . 55.12 111.518 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -97.39 129.92 44.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.727 -0.472 . . . . 71.05 109.727 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -120.77 161.52 21.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.586 -0.279 . . . . 71.52 110.537 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.7 149.86 36.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 73.54 110.53 175.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.439 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.0 t -99.19 125.11 52.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 109.02 -0.733 . . . . 75.34 109.02 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.5 mt -108.9 168.97 8.97 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 123.885 0.74 . . . . 73.02 110.197 -177.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.4 tt -146.84 148.56 16.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.118 -0.492 . . . . 72.04 110.456 174.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 38.3 t-20 -114.43 150.05 35.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.297 -1.371 . . . . 75.55 107.297 168.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.14 -18.72 4.04 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.267 0.839 . . . . 61.45 113.267 -168.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 4.9 mp0 -81.44 29.26 0.37 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.943 -0.391 . . . . 73.21 109.943 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' HA ' HD11 ' A' ' 24' ' ' ILE . 29.2 mm-40 49.84 35.65 9.74 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.488 0.715 . . . . 74.33 111.386 -174.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.535 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 30.6 mm-40 -83.81 116.21 22.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.613 -0.722 . . . . 74.21 109.11 177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -106.93 143.78 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.225 -0.287 . . . . 74.33 110.225 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.6 t -154.75 162.93 40.92 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.268 -0.641 . . . . 53.22 109.268 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.1 tp -119.15 116.96 27.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.848 -0.427 . . . . 74.5 109.848 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -114.15 135.67 22.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 63.34 110.189 -171.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -84.37 154.35 12.33 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.902 2.401 . . . . 51.42 112.954 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -64.65 -14.9 60.19 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.833 -0.622 . . . . 70.21 111.269 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -79.51 0.8 28.18 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.028 -0.533 . . . . 72.31 111.162 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.67 152.83 49.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 71.31 110.431 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -84.71 148.54 26.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.884 -0.413 . . . . 73.44 109.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.07 120.04 57.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 54.22 110.6 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.43 129.59 21.74 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.714 2.276 . . . . 75.04 112.573 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.55 34.25 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.833 -0.621 . . . . 52.4 110.636 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -19.97 27.51 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 111.468 -0.653 . . . . 61.12 111.468 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -111.43 130.86 55.57 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.831 -0.433 . . . . 65.54 109.831 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 44' ' ' ARG . 12.3 ptm180 -108.03 144.65 35.07 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.645 0.26 . . . . 75.23 110.345 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.519 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.0 t -75.66 113.41 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.981 -0.554 . . . . 42.52 110.654 -177.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -89.43 -32.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.96 0.41 . . . . 54.42 110.016 177.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -131.21 121.57 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.743 -0.836 . . . . 72.55 108.743 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.53 173.94 11.31 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.354 -0.451 . . . . 73.14 112.719 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -55.02 115.0 1.97 Allowed 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.058 0.456 . . . . 63.23 110.981 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.61 166.6 24.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.682 -0.69 . . . . 24.11 109.976 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.0 m -55.98 139.38 46.68 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 110.235 -0.283 . . . . 62.51 110.235 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HE ' ' HB3' ' A' ' 16' ' ' GLU . 5.2 tmm_? -47.7 -34.65 8.49 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.534 0.568 . . . . 61.4 112.534 -170.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.12 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.851 0.315 . . . . 62.54 111.851 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 p -64.88 -42.35 94.89 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 109.285 -0.635 . . . . 73.43 109.285 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.8 m -55.69 -53.47 56.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.06 -0.973 . . . . 64.42 110.579 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.49 -41.28 91.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.042 -0.527 . . . . 63.11 111.016 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 35.4 tt0 -58.49 -43.1 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.141 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -65.62 -54.38 28.55 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.03 -0.532 . . . . 75.13 110.755 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' CYS . 74.1 t -53.34 -42.81 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.935 0.398 . . . . 73.44 110.878 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -62.36 -26.55 68.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.529 -0.76 . . . . 75.12 111.422 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 57' ' ' GLU . 70.1 mm-40 -95.63 -23.33 17.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.411 -0.359 . . . . 74.24 111.16 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.4 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 47.5 t-80 -92.34 13.9 18.04 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.505 0.557 . . . . 73.44 112.505 -170.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -53.17 -51.49 61.88 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.744 -0.465 . . . . 75.22 109.744 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p 49.52 21.37 0.59 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.928 . . . . 62.45 113.485 172.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 68.32 115.95 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.327 0.584 . . . . 73.45 111.169 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.631 HG22 ' HD2' ' A' ' 68' ' ' PRO . 48.1 mt -75.75 148.38 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 115.79 -0.641 . . . . 55.33 111.525 -172.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.461 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 80.4 mtp180 -74.33 -61.89 1.11 Allowed Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.986 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 66' ' ' ILE . 57.4 Cg_endo -69.46 129.64 18.27 Favored 'Trans proline' 0 C--N 1.358 1.048 0 C-N-CA 121.848 1.699 . . . . 54.14 112.317 -178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -83.64 106.17 15.15 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.271 -0.422 . . . . 61.4 110.812 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.3 t -110.41 147.04 34.81 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.001 0.429 . . . . 33.04 110.537 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 71' ' ' LEU . 1.6 pt? -121.86 1.74 9.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 51.23 109.954 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -93.06 128.36 38.92 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.337 -0.616 . . . . 54.12 109.337 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -136.08 163.89 29.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.006 0.431 . . . . 70.21 111.489 -175.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -96.77 -60.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.894 -0.78 . . . . 75.42 108.894 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.547 ' HG ' ' H ' ' A' ' 77' ' ' SER . 42.6 tp -166.44 146.18 5.91 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.395 -0.82 . . . . 72.41 109.136 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.53 -3.61 44.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.918 0.34 . . . . 72.54 111.918 -176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.547 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 52.3 m -151.77 -176.48 5.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.62 0.248 . . . . 75.32 110.534 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.11 148.56 10.48 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.325 -0.464 . . . . 74.32 112.001 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -141.51 165.06 28.53 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 110.312 -0.255 . . . . 65.34 110.312 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.86 -0.967 . . . . 64.22 111.726 -178.593 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.111 -0.396 . . . . 54.31 112.111 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.04 12.45 2.01 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.073 2.515 . . . . 55.43 112.782 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.85 45.06 1.37 Allowed Glycine 0 C--N 1.33 0.234 0 N-CA-C 111.923 -0.471 . . . . 63.2 111.923 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.6 p -76.57 87.56 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.991 0.424 . . . . 64.22 110.491 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.7 ttt -75.43 96.39 3.44 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.104 -0.498 . . . . 62.22 110.396 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -95.75 -34.19 12.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.984 -0.553 . . . . 72.41 110.401 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.5 mt -104.7 128.35 58.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.714 -0.675 . . . . 74.52 110.282 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -80.08 73.64 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.27 0.557 . . . . 64.41 110.556 178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 m -75.04 163.07 27.99 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.772 -0.649 . . . . 52.44 110.724 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -94.27 169.76 10.0 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.404 -0.362 . . . . 71.14 110.183 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.643 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 93.8 m-20 -105.15 127.37 28.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.572 -0.529 . . . . 72.51 109.572 173.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -71.01 -3.14 12.23 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.745 2.297 . . . . 75.11 112.361 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' HB2' ' CD2' ' A' ' 36' ' ' PHE . 27.2 p90 -118.39 14.69 13.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.968 -0.56 . . . . 73.14 110.975 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.643 ' HB2' ' HB2' ' A' ' 11' ' ' ASN . 27.7 t70 -107.44 28.41 8.15 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.226 0.536 . . . . 64.53 110.95 -173.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -82.99 151.79 25.7 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.101 -0.374 . . . . 71.14 110.715 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.18 -31.7 67.52 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.15 -0.477 . . . . 72.15 111.601 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.43 -22.5 61.84 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.014 -0.539 . . . . 74.54 111.502 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.47 122.69 6.87 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.636 -0.792 . . . . 55.12 111.263 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 80.0 mtp -74.58 127.62 33.53 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.726 -0.472 . . . . 71.05 109.726 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 52' ' ' ARG . 7.5 m-85 -126.13 169.91 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 71.52 110.1 -177.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.519 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -120.86 159.48 25.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.833 0.349 . . . . 73.54 110.765 175.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 46' ' ' VAL . 30.7 t -108.13 127.91 63.98 Favored 'Isoleucine or valine' 0 C--O 1.243 0.737 0 N-CA-C 108.341 -0.985 . . . . 75.34 108.341 177.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 45' ' ' VAL . 67.1 mt -105.72 173.41 6.32 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.727 0.642 . . . . 73.02 111.016 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 10.9 tt -149.4 154.91 8.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.537 174.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.565 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 2.8 t-20 -125.26 150.19 47.29 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 107.64 -1.245 . . . . 75.55 107.64 168.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -58.24 -13.72 5.69 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.098 0.874 . . . . 61.45 112.969 -167.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.712 ' HG3' ' HG2' ' A' ' 29' ' ' GLN . 4.3 pt-20 -90.42 35.14 0.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.821 -0.807 . . . . 73.21 108.821 168.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' ASN . 36.0 mt-10 56.21 24.15 7.79 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 114.486 -1.234 . . . . 74.33 111.784 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.712 ' HG2' ' HG3' ' A' ' 27' ' ' GLU . 78.0 mm-40 -70.34 156.5 39.22 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.342 -0.614 . . . . 74.21 109.342 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -144.35 153.21 41.73 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.269 -0.271 . . . . 74.33 110.269 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 t -173.58 146.34 1.31 Allowed 'General case' 0 C--O 1.242 0.704 0 N-CA-C 108.916 -0.772 . . . . 53.22 108.916 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.98 115.48 30.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.165 -0.68 . . . . 74.5 109.165 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.4 t-105 -115.06 134.11 22.57 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.585 -0.28 . . . . 63.34 110.39 -172.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -82.73 154.74 15.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.682 2.255 . . . . 51.42 113.393 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 p -62.17 -21.2 64.88 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.459 -0.791 . . . . 70.21 111.151 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 13' ' ' PHE . 21.6 m-85 -80.17 6.55 11.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.388 -0.824 . . . . 72.31 111.17 -176.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.49 153.28 43.5 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.334 -0.394 . . . . 71.31 110.141 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.66 150.72 24.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.601 -0.272 . . . . 73.44 110.875 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.68 119.85 69.14 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-N 115.75 -0.659 . . . . 54.22 110.411 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.81 133.94 38.37 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.482 2.121 . . . . 75.04 112.202 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.46 128.24 33.43 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.052 -0.522 . . . . 52.4 110.381 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.85 -18.26 29.28 Favored Glycine 0 N--CA 1.45 -0.409 0 N-CA-C 111.702 -0.559 . . . . 61.12 111.702 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -111.35 144.49 40.46 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.567 -0.531 . . . . 65.54 109.567 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -122.34 150.41 42.43 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 109.957 -0.386 . . . . 75.23 109.957 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.8 t -79.9 118.66 27.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 42.52 110.385 -178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' VAL . 4.3 m -95.23 -34.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.187 0.518 . . . . 54.42 109.864 176.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -125.4 113.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.836 -0.802 . . . . 72.55 108.836 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.98 -178.87 6.93 Favored Glycine 0 CA--C 1.52 0.4 0 O-C-N 123.463 0.477 . . . . 73.14 113.335 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 1.8 mp0 -55.14 119.02 4.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 122.57 0.348 . . . . 63.23 110.762 -176.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.95 166.77 31.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 24.11 110.462 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.6 t -59.86 155.57 16.09 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.718 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.1 tpt180 -53.02 -49.62 65.91 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.945 -0.571 . . . . 61.4 111.422 -174.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.72 67.11 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.874 0.369 . . . . 62.54 111.664 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -67.44 -48.95 65.76 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-O 121.475 0.655 . . . . 73.43 110.111 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' HG23 ' A' ' 59' ' ' VAL . 36.0 m -59.53 -48.71 80.59 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.102 -0.954 . . . . 64.42 110.307 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.2 t -60.44 -40.66 84.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.617 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.69 -47.15 86.77 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.984 -0.553 . . . . 72.21 110.176 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -64.08 -43.56 95.05 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.784 -0.366 . . . . 75.13 110.941 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 55' ' ' CYS . 71.9 t -53.39 -42.39 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.918 0.389 . . . . 73.44 110.173 177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.3 -39.36 92.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.796 -0.638 . . . . 75.12 110.706 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -66.59 -25.4 66.6 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.94 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -87.74 10.86 16.9 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.372 -0.376 . . . . 73.44 110.749 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -59.91 -11.5 5.72 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.851 0.461 . . . . 75.22 111.959 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -84.34 17.87 2.42 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.445 -0.343 . . . . 62.45 111.445 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HB2' ' HB3' ' A' ' 28' ' ' GLU . 9.3 p-10 -79.76 137.14 36.92 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.647 -0.251 . . . . 73.45 110.455 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.5 mt -95.95 -45.68 13.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.145 0.497 . . . . 55.33 111.954 -178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 51.0 mtp180 65.37 85.84 0.15 Allowed Pre-proline 0 C--N 1.31 -1.148 0 CA-C-N 115.03 -0.987 . . . . 74.24 111.008 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.23 -15.29 49.43 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.783 2.322 . . . . 54.14 112.22 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -155.68 146.5 22.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.329 -0.396 . . . . 61.4 111.216 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 m -141.97 134.31 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.511 -0.922 . . . . 33.04 108.511 171.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 71' ' ' LEU . 6.8 mp -97.78 158.68 15.38 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.854 0.359 . . . . 51.23 111.594 -171.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -50.59 -43.25 56.54 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.359 -0.837 . . . . 54.12 111.911 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -108.98 25.94 11.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.227 0.537 . . . . 70.21 110.991 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' HD3' ' HG3' ' A' ' 29' ' ' GLN . 39.1 ttmt -128.53 84.1 2.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.777 -0.823 . . . . 75.42 108.777 172.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 75' ' ' LEU . 1.9 pt? -153.93 136.06 14.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.869 -0.605 . . . . 72.41 110.022 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -117.9 104.76 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 72.54 110.59 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 p -83.15 84.85 7.32 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.002 0.43 . . . . 75.32 109.999 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.91 -170.15 40.53 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.889 -0.596 . . . . 74.32 111.714 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 79' ' ' GLN . 19.4 mp0 -91.48 85.66 5.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.367 . . . . 65.34 110.122 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 N-CA-C 111.007 -0.837 . . . . 64.22 111.007 179.197 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.837 -0.505 . . . . 54.31 111.837 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -79.78 39.07 0.79 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.921 2.414 . . . . 55.43 112.348 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.29 -30.0 73.4 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 116.086 -0.506 . . . . 63.2 112.682 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.8 t -88.99 -12.34 41.73 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 122.859 -0.201 . . . . 64.22 110.668 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 51.0 tpp -74.76 78.32 2.07 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.268 0.556 . . . . 62.22 110.075 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -105.78 39.03 1.85 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.475 -0.784 . . . . 72.41 110.533 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 pt -125.42 159.67 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.445 -0.798 . . . . 74.52 109.307 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.0 mtm 68.2 13.97 9.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.144 0.497 . . . . 64.41 110.524 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.8 m -102.82 150.53 23.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.864 -0.607 . . . . 52.44 110.134 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -62.08 154.03 28.13 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.864 -0.421 . . . . 71.14 109.864 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -137.07 143.15 40.92 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.575 0.226 . . . . 72.51 110.964 -173.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.56 16.82 1.88 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 122.917 2.411 . . . . 75.11 113.46 -176.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -118.42 8.48 12.14 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.963 0.411 . . . . 73.14 110.845 176.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -83.35 -24.23 32.16 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.019 -0.537 . . . . 64.53 109.815 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.47 134.51 54.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.353 -0.84 . . . . 71.14 110.77 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -88.85 -22.4 23.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.902 0.382 . . . . 72.15 110.799 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -91.73 -21.25 20.83 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.97 -0.559 . . . . 74.54 110.983 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.11 139.4 32.44 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.968 -0.634 . . . . 55.12 111.612 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' THR . 47.6 mtp -90.18 127.5 36.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.331 -0.618 . . . . 71.05 109.331 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' HB2' HD11 ' A' ' 32' ' ' LEU . 4.9 m-85 -128.64 161.62 29.23 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.552 -0.536 . . . . 71.52 109.552 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.13 147.17 34.19 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.627 0.251 . . . . 73.54 110.916 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 46' ' ' VAL . 92.0 t -96.74 129.11 47.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 N-CA-C 109.328 -0.619 . . . . 75.34 109.328 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 45' ' ' VAL . 44.5 mt -113.13 169.99 8.54 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.866 -0.606 . . . . 73.02 110.279 -176.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.4 tt -147.69 148.26 16.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 CA-C-N 116.412 -0.358 . . . . 72.04 110.742 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.2 t30 -119.78 155.29 32.81 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.484 -0.932 . . . . 75.55 108.484 169.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 28' ' ' GLU . 36.6 t70 -50.5 -31.19 14.75 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.287 0.847 . . . . 61.45 113.287 -165.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.722 ' HA ' ' HB3' ' A' ' 68' ' ' PRO . 2.1 mp0 -74.57 29.51 0.09 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 122.19 -0.319 . . . . 73.21 111.124 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 26' ' ' ASP . 78.8 mm-40 50.37 32.52 6.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 122.666 0.386 . . . . 74.33 111.187 -173.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.0 mt-30 -72.47 115.65 11.99 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.679 -1.23 . . . . 74.21 107.679 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -108.41 131.93 54.27 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.918 -0.771 . . . . 74.33 108.918 -175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -154.15 178.02 10.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.122 0.487 . . . . 53.22 110.762 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 20' ' ' PHE . 42.2 tp -133.72 136.24 44.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.331 -0.849 . . . . 74.5 109.484 -174.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.8 t-105 -132.09 131.49 22.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 110.419 -0.215 . . . . 63.34 110.419 -174.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 87.5 Cg_endo -77.97 155.82 30.29 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.594 2.196 . . . . 51.42 113.11 -177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 19' ' ' MET . 18.5 p -64.59 -13.95 55.53 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.798 -0.637 . . . . 70.21 111.322 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -77.12 -17.89 58.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.966 -0.561 . . . . 72.31 111.645 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.9 175.19 5.87 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.66 0.267 . . . . 71.31 111.214 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -107.35 152.61 23.92 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.089 -0.505 . . . . 73.44 110.713 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.94 122.92 84.65 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.942 -0.572 . . . . 54.22 110.819 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.92 133.39 29.05 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.61 2.207 . . . . 75.04 111.892 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.16 128.43 24.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.78 -0.646 . . . . 52.4 111.066 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.79 -28.2 12.89 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.052 -0.522 . . . . 61.12 111.908 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -95.01 134.09 38.07 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 110.321 -0.252 . . . . 65.54 110.321 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -109.56 150.3 28.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.205 -0.295 . . . . 75.23 110.205 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' A' ' 23' ' ' LEU . 36.3 t -81.83 114.48 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.094 -0.503 . . . . 42.52 110.524 -178.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -90.61 -32.08 5.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.175 0.512 . . . . 54.42 110.017 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.96 125.39 26.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.909 -0.774 . . . . 72.55 108.909 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.5 176.16 14.74 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.336 -0.459 . . . . 73.14 112.317 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -55.34 111.19 0.82 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.435 0.636 . . . . 63.23 111.343 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.53 166.76 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.253 -0.885 . . . . 24.11 109.746 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -53.62 132.87 41.32 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.306 -0.406 . . . . 62.51 109.952 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.449 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.62 -38.76 15.32 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.814 -0.63 . . . . 61.4 111.403 -172.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.61 84.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.794 -0.184 . . . . 62.54 111.369 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -60.36 -39.99 89.19 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.51 0.672 . . . . 73.43 109.484 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.3 m -62.63 -47.07 85.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.866 -1.061 . . . . 64.42 110.777 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 52' ' ' ARG . 86.4 t -64.56 -42.64 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 116.223 -0.444 . . . . 63.11 110.373 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -56.58 -48.04 78.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.723 177.274 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -60.37 -56.96 15.15 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.554 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 63' ' ' TRP . 64.1 t -52.98 -53.1 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.906 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -51.68 -47.21 63.95 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.736 -0.666 . . . . 75.12 111.948 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 83.0 mt-30 -67.71 -47.84 68.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.432 -0.349 . . . . 74.24 111.493 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -90.34 2.32 55.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 73.44 111.21 -174.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.489 ' HB2' ' O ' ' A' ' 59' ' ' VAL . 67.9 t90 -70.62 -30.86 67.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.699 -0.228 . . . . 75.22 110.99 -178.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.3 m -63.86 -27.29 69.06 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.094 -0.503 . . . . 62.45 111.707 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.44 88.61 6.99 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.561 -0.291 . . . . 73.45 110.796 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 67' ' ' ARG . 71.8 mt -135.92 129.0 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.18 -0.464 . . . . 55.33 110.139 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.614 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . 18.1 ttp180 166.27 86.94 0.02 OUTLIER Pre-proline 0 N--CA 1.468 0.46 0 C-N-CA 123.648 0.779 . . . . 74.24 109.487 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 74.2 Cg_endo -77.08 98.24 1.21 Allowed 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 122.707 2.271 . . . . 54.14 113.188 177.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm 73.5 -47.68 0.66 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.854 0.862 . . . . 61.4 113.184 169.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -79.53 -169.58 1.98 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.75 0.785 . . . . 33.04 113.083 -163.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.8 tp -72.43 -53.71 11.43 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.537 -1.21 . . . . 51.23 112.288 -170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NH2' ' HB3' ' A' ' 76' ' ' ALA . 46.9 ttt180 -95.81 147.91 23.15 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.372 -0.376 . . . . 54.12 110.799 -171.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.614 ' HA ' ' HB2' ' A' ' 67' ' ' ARG . 2.5 mp0 -74.25 -72.29 0.29 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.296 0.57 . . . . 70.21 110.593 -178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -125.49 164.18 21.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.33 -0.85 . . . . 75.42 109.964 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 76' ' ' ALA . 3.4 tm? -64.89 139.2 58.74 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.342 -0.985 . . . . 72.41 108.342 172.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . . . -146.74 98.15 3.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.959 0.409 . . . . 72.54 111.024 -174.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.2 p -75.18 -49.21 20.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.597 -0.729 . . . . 75.32 109.564 173.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 143.37 173.99 15.33 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.379 -0.828 . . . . 74.32 111.735 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -111.31 -29.25 7.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.401 . . . . 65.34 110.079 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.92 0 CA-C-O 118.362 -1.243 . . . . 64.22 112.022 178.284 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.241 -0.343 . . . . 54.31 112.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.99 98.07 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.351 2.034 . . . . 55.43 111.276 176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -80.14 -28.25 49.97 Favored Glycine 0 C--N 1.332 0.345 0 N-CA-C 111.767 -0.533 . . . . 63.2 111.767 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.4 p -86.76 144.51 27.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.941 -0.392 . . . . 64.22 109.941 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 51.1 ttm -146.16 133.23 20.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.22 -0.289 . . . . 62.22 110.22 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.552 ' H ' ' HD3' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -133.17 134.8 44.6 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.657 -0.497 . . . . 72.41 109.657 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.7 pt -94.34 134.66 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.324 -0.398 . . . . 74.52 110.906 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.0 mtp -78.49 94.25 4.91 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.535 -0.543 . . . . 64.41 109.535 175.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m -142.75 139.64 31.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.218 -0.446 . . . . 52.44 110.536 -178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -63.95 145.55 55.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 71.14 110.862 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.528 HD22 ' N ' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -101.07 112.49 65.03 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 72.51 109.415 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -62.96 -11.44 24.62 Favored 'Trans proline' 0 N--CA 1.479 0.62 0 C-N-CA 123.04 2.493 . . . . 75.11 113.384 -173.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -95.96 15.06 21.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.87 0.367 . . . . 73.14 111.225 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.467 ' HA ' HH12 ' A' ' 52' ' ' ARG . 7.4 p-10 -74.94 -0.25 18.03 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.408 -0.36 . . . . 64.53 111.206 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -86.02 -175.91 5.75 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.723 -0.473 . . . . 71.14 109.723 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -134.84 3.54 3.23 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.536 0.684 . . . . 72.15 112.338 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.67 -17.68 62.85 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 114.863 -1.062 . . . . 74.54 111.671 -175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -122.58 163.66 15.89 Favored Glycine 0 C--O 1.234 0.136 0 C-N-CA 120.997 -0.621 . . . . 55.12 111.926 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 79.8 mtp -86.84 142.37 28.12 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.695 -0.854 . . . . 71.05 108.695 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 32' ' ' LEU . 12.2 m-85 -128.55 152.71 47.98 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.24 -0.184 . . . . 71.52 110.509 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' A' ' 35' ' ' THR . 0.2 OUTLIER -107.43 147.55 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.889 -0.412 . . . . 73.54 109.889 171.544 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.524 ' O ' HG22 ' A' ' 46' ' ' VAL . 57.2 t -97.55 122.82 49.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 109.16 -0.681 . . . . 75.34 109.16 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.537 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.7 mt -109.53 160.22 16.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.602 -0.726 . . . . 73.02 109.808 -178.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.9 tt -134.97 128.59 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.711 -0.477 . . . . 72.04 109.711 172.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.618 HD21 ' HB3' ' A' ' 74' ' ' LYS . 28.3 t-20 -77.18 147.94 36.18 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.99 -1.115 . . . . 75.55 107.99 173.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 28' ' ' GLU . 7.7 t70 -54.51 -26.12 29.75 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.066 0.854 . . . . 61.45 110.522 -173.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.651 ' HA ' ' HB3' ' A' ' 68' ' ' PRO . 1.5 mp0 -72.65 21.11 0.07 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.399 -0.819 . . . . 73.21 111.266 172.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 47.4 mt-10 61.3 29.25 18.54 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 123.267 0.627 . . . . 74.33 110.754 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.518 ' HA ' HG12 ' A' ' 66' ' ' ILE . 88.1 mt-30 -89.85 125.1 35.21 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.763 -0.375 . . . . 74.21 110.705 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -84.47 142.15 30.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.209 -0.293 . . . . 74.33 110.209 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 p -155.18 162.71 40.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.019 0.438 . . . . 53.22 111.142 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 20' ' ' PHE . 31.5 tp -128.6 129.92 46.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.637 -0.875 . . . . 74.5 108.637 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -129.88 135.55 27.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.239 -0.282 . . . . 63.34 110.239 -172.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -79.23 151.74 23.51 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.682 2.255 . . . . 51.42 113.139 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 15.0 p -59.12 -30.57 68.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.341 -0.845 . . . . 70.21 112.093 -177.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.8 -25.34 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.842 -0.617 . . . . 72.31 111.069 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.83 147.91 25.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.582 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -87.23 149.62 24.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 73.44 110.45 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.14 121.57 78.94 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.04 -0.527 . . . . 54.22 110.902 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.29 131.93 18.55 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.653 2.236 . . . . 75.04 112.494 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.54 128.39 31.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.918 -0.583 . . . . 52.4 111.205 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 -23.41 21.32 Favored Glycine 0 N--CA 1.454 -0.165 0 N-CA-C 110.984 -0.846 . . . . 61.12 110.984 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CZ3' ' HB2' ' A' ' 25' ' ' ASN . 59.3 m95 -103.64 122.26 44.63 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.855 -0.795 . . . . 65.54 108.855 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.2 ptp180 -100.86 143.77 30.61 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.16 -0.311 . . . . 75.23 110.16 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.537 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.2 t -75.43 123.63 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.485 -0.325 . . . . 42.52 110.345 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.3 m -101.67 -34.52 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.598 -0.519 . . . . 54.42 109.598 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.84 120.22 19.07 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.487 -0.931 . . . . 72.55 108.487 -178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.26 -178.68 7.28 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.226 -0.511 . . . . 73.14 112.598 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.72 114.72 1.81 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.175 0.512 . . . . 63.23 110.673 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -140.94 166.96 23.36 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.633 -0.712 . . . . 24.11 110.462 -175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.5 t -62.46 152.91 33.08 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.721 -0.672 . . . . 62.51 111.082 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.4 tpt180 -47.31 -52.66 15.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.782 -1.099 . . . . 61.4 112.638 -176.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.96 79.28 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.0 0.37 . . . . 62.54 112.0 -172.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 m -56.6 -47.29 79.9 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.401 0.62 . . . . 73.43 110.209 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' HG23 ' A' ' 59' ' ' VAL . 61.9 m -61.68 -51.35 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.996 -1.002 . . . . 64.42 111.001 -179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 52' ' ' ARG . 76.4 t -58.37 -44.33 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 120.948 0.404 . . . . 63.11 110.674 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.75 -47.69 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 72.21 110.521 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -63.38 -46.29 87.17 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.472 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 55' ' ' CYS . 86.4 t -55.49 -44.99 78.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.733 175.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.32 -38.81 81.24 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.978 -0.556 . . . . 75.12 111.167 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -62.76 -36.8 84.23 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.327 0.584 . . . . 74.24 110.606 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -94.55 13.98 22.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.81 -0.632 . . . . 73.44 111.603 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -48.61 -61.62 1.93 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.015 0.436 . . . . 75.22 109.892 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.9 m -96.34 93.28 6.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.924 -0.58 . . . . 62.45 109.507 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -156.83 2.0 0.13 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.961 -0.563 . . . . 73.45 111.013 -176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' A' ' 29' ' ' GLN . 54.0 mt -93.65 117.29 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 119.275 -0.393 . . . . 55.33 111.338 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.718 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 2.5 mmp_? -170.79 70.09 0.53 Allowed Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 122.979 0.511 . . . . 74.24 110.825 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.651 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 19.6 Cg_endo -59.84 -36.41 90.99 Favored 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 122.865 2.377 . . . . 54.14 112.077 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 69.33 -9.37 0.63 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.974 0.731 . . . . 61.4 112.974 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.0 p -84.35 16.52 3.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.802 0.334 . . . . 33.04 111.304 -177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.9 mt 64.74 12.96 8.07 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.034 0.533 . . . . 51.23 111.061 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.518 ' NE ' ' HA ' ' A' ' 72' ' ' ARG . 3.0 mmp_? -96.46 136.18 37.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 54.12 109.786 174.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -151.7 89.98 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.584 -0.895 . . . . 70.21 108.584 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.618 ' HB3' HD21 ' A' ' 25' ' ' ASN . 4.0 ttmp? -78.79 122.7 26.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.325 -0.398 . . . . 75.42 110.705 -176.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.2 tp -72.32 136.74 46.3 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.371 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.9 122.52 28.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.745 -0.661 . . . . 72.54 110.422 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 t -150.25 164.26 36.19 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.591 -0.522 . . . . 75.32 109.591 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 154.9 -50.5 0.47 Allowed Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.038 -0.601 . . . . 74.32 112.348 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 60.33 30.5 19.87 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.849 0.357 . . . . 65.34 110.942 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.783 -1.009 . . . . 64.22 112.343 -178.829 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.728 -0.549 . . . . 54.31 111.728 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.65 131.86 15.24 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.502 2.135 . . . . 55.43 111.586 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.68 -87.83 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.066 -0.588 . . . . 63.2 111.665 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.8 m -74.15 109.11 7.38 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.104 -0.332 . . . . 64.22 110.104 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.6 ptp -147.84 163.4 36.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.007 -0.542 . . . . 62.22 109.681 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -88.86 117.17 27.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.374 -0.375 . . . . 72.41 110.171 -176.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt 69.77 103.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 123.955 0.784 . . . . 74.52 110.79 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -149.66 -166.9 2.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.735 . . . . 64.41 109.698 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 m -56.71 164.51 1.46 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.402 -0.363 . . . . 52.44 110.595 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -54.04 134.2 43.7 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.997 0.427 . . . . 71.14 111.492 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -57.42 138.11 81.3 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 115.334 -0.848 . . . . 72.51 109.948 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.77 16.12 0.07 OUTLIER 'Trans proline' 0 N--CA 1.482 0.836 0 C-N-CA 123.193 2.595 . . . . 75.11 114.64 -172.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -112.19 11.99 20.34 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 110.066 -0.346 . . . . 73.14 110.066 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -83.02 8.32 13.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.298 -0.41 . . . . 64.53 110.883 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.55 104.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.802 -0.635 . . . . 71.14 111.73 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -62.99 -21.42 66.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.925 0.393 . . . . 72.15 110.843 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.38 -19.61 31.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.593 -0.73 . . . . 74.54 111.211 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.9 157.16 46.77 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.947 -0.644 . . . . 55.12 112.994 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.7 mmm -104.11 126.8 51.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.594 -0.891 . . . . 71.05 108.594 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' HB2' HD11 ' A' ' 32' ' ' LEU . 3.6 m-85 -133.42 154.13 51.03 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.273 -0.64 . . . . 71.52 109.273 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.27 142.88 34.26 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.283 -0.265 . . . . 73.54 110.283 178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.8 t -94.46 124.22 46.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 N-CA-C 109.093 -0.706 . . . . 75.34 109.093 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 45' ' ' VAL . 48.3 mt -106.84 167.11 10.1 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.661 -0.7 . . . . 73.02 110.185 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.531 HD11 ' HA ' ' A' ' 28' ' ' GLU . 8.1 tt -146.92 136.21 16.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.104 -0.498 . . . . 72.04 110.036 172.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -92.36 150.97 20.51 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.481 -0.933 . . . . 75.55 108.481 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.09 -7.7 2.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.023 0.827 . . . . 61.45 112.252 -171.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.731 ' HG3' ' HB2' ' A' ' 29' ' ' GLN . 10.0 pt-20 -82.71 16.64 2.12 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.635 -0.505 . . . . 73.21 109.635 169.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 24' ' ' ILE . 40.9 mt-10 58.23 40.27 24.94 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 121.681 0.753 . . . . 74.33 110.238 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.731 ' HB2' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.0 116.63 32.91 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.33 -0.85 . . . . 74.21 110.109 -179.603 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -87.17 144.37 26.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.752 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.9 t -149.1 165.66 31.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.348 -0.612 . . . . 53.22 109.348 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 20' ' ' PHE . 44.9 tp -126.86 118.37 24.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.316 -0.624 . . . . 74.5 109.316 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.4 t-105 -116.76 125.61 28.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.352 -0.385 . . . . 63.34 110.133 -172.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.85 156.04 27.03 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.672 2.248 . . . . 51.42 112.371 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 p -61.98 -15.12 41.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.039 -0.528 . . . . 70.21 111.578 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -70.22 -11.92 61.23 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.972 -0.558 . . . . 72.31 111.789 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.17 171.04 14.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.689 0.281 . . . . 71.31 111.097 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.9 152.65 21.05 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.396 -0.365 . . . . 73.44 110.596 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.59 120.73 79.19 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.082 -0.508 . . . . 54.22 111.49 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.68 133.95 19.48 Favored 'Trans proline' 0 C--O 1.24 0.586 0 C-N-CA 122.717 2.278 . . . . 75.04 112.729 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.33 129.48 31.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.648 -0.705 . . . . 52.4 110.733 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.67 -23.83 21.12 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.472 -0.651 . . . . 61.12 111.472 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -107.76 118.99 38.19 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.427 -0.583 . . . . 65.54 109.427 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -100.2 142.03 32.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 75.23 110.144 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.538 ' HA ' HD23 ' A' ' 23' ' ' LEU . 30.6 t -74.34 112.68 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 42.52 110.453 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -87.71 -36.6 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.308 0.575 . . . . 54.42 109.61 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -130.53 124.77 32.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.437 -0.801 . . . . 72.55 108.872 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.78 178.37 8.98 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 121.185 -0.531 . . . . 73.14 112.512 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.66 111.2 0.85 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.312 0.577 . . . . 63.23 110.854 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.44 164.81 27.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.873 -0.603 . . . . 24.11 110.371 -177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.1 p -61.17 151.25 31.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.552 -0.295 . . . . 62.51 111.192 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.4 tpt180 -47.07 -48.82 22.43 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.385 0.674 . . . . 61.4 111.742 -176.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -46.57 89.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.687 -0.233 . . . . 62.54 111.134 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -60.33 -42.9 96.61 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.113 0.482 . . . . 73.43 110.406 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.513 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.4 m -61.89 -48.28 81.19 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.781 -0.645 . . . . 64.42 110.75 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 52' ' ' ARG . 85.5 t -59.01 -48.46 86.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.464 -0.334 . . . . 63.11 111.065 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.63 -44.48 96.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.936 -0.574 . . . . 72.21 110.394 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.17 -47.71 84.79 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.759 -0.655 . . . . 75.13 110.679 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 55' ' ' CYS . 97.9 t -57.22 -46.69 84.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.005 -0.543 . . . . 73.44 110.676 175.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -55.27 -43.71 74.95 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.011 -0.54 . . . . 75.12 110.478 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -61.07 -41.38 96.54 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.935 -0.575 . . . . 74.24 110.967 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -94.57 13.51 23.89 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.759 -0.655 . . . . 73.44 111.796 -174.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -81.9 13.21 3.42 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 120.868 0.366 . . . . 75.22 110.65 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 p -59.38 -69.03 0.22 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.596 0.591 . . . . 62.45 112.596 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -121.08 143.28 49.16 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.903 0.383 . . . . 73.45 111.814 -173.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.403 HG22 ' HD2' ' A' ' 68' ' ' PRO . 61.0 mt -140.02 135.47 37.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 108.778 -0.823 . . . . 55.33 108.778 175.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 67' ' ' ARG . 6.0 mmt180 -73.76 -50.74 5.53 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.798 0.666 . . . . 74.24 112.798 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 27' ' ' GLU . 56.5 Cg_endo -71.4 140.42 36.66 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 121.713 1.609 . . . . 54.14 111.076 173.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.721 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -68.36 100.1 1.02 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.89 0.376 . . . . 61.4 110.531 -178.403 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.5 p -55.63 123.74 15.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.874 -0.603 . . . . 33.04 110.259 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 71' ' ' LEU . 2.7 mm? -76.48 -60.44 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.324 -0.621 . . . . 51.23 109.324 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 29.2 ptt180 -155.8 94.16 1.53 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.403 -0.817 . . . . 54.12 109.315 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -107.46 117.81 35.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.858 -0.61 . . . . 70.21 109.615 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -99.72 115.71 30.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 75.42 111.18 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.9 tp -126.51 136.03 52.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.811 -0.632 . . . . 72.41 109.298 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.9 -178.14 3.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.306 -0.406 . . . . 72.54 110.313 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.6 p -90.84 11.53 22.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.442 -0.345 . . . . 75.32 110.975 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.52 -65.29 3.44 Favored Glycine 0 C--N 1.331 0.257 0 N-CA-C 111.67 -0.572 . . . . 74.32 111.67 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.64 175.68 7.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.681 0.276 . . . . 65.34 110.344 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.586 -1.119 . . . . 64.22 111.154 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 112.095 -0.402 . . . . 54.31 112.095 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.28 102.22 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.605 2.203 . . . . 55.43 111.993 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -146.38 86.79 0.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.172 -0.771 . . . . 63.2 111.172 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.5 p -60.26 115.97 3.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.164 0.186 . . . . 64.22 110.817 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.8 tpt -77.58 61.85 2.4 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.225 -0.658 . . . . 62.22 109.225 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? 178.96 125.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.89 -1.05 . . . . 72.41 108.483 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 tt -154.95 144.8 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.644 0.259 . . . . 74.52 110.312 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -128.21 148.91 50.64 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.275 -0.639 . . . . 64.41 109.275 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.8 t -91.79 127.72 37.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.76 0.314 . . . . 52.44 110.388 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.534 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 18.4 t70 -94.05 -167.31 1.65 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.346 -0.983 . . . . 71.14 108.346 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -98.0 93.65 1.84 Allowed Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 118.062 0.392 . . . . 72.51 110.351 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 83.5 Cg_endo -77.78 1.54 8.76 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.69 2.26 . . . . 75.11 112.312 -175.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -109.37 -1.68 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.944 -0.571 . . . . 73.14 110.338 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -94.13 -34.2 13.04 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.169 0.509 . . . . 64.53 109.901 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.63 102.88 0.78 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.343 -0.844 . . . . 71.14 110.762 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' HB3' ' HG2' ' A' ' 52' ' ' ARG . 30.3 mt-10 -71.1 -7.29 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.871 -0.604 . . . . 72.15 110.957 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.29 -21.92 62.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.562 -0.744 . . . . 74.54 110.741 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.36 175.05 54.92 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 121.149 -0.548 . . . . 55.12 112.195 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 76.3 mtp -112.29 130.2 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.228 -0.656 . . . . 71.05 109.228 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.522 ' HB2' HD11 ' A' ' 32' ' ' LEU . 8.1 m-85 -126.33 159.14 34.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.806 -0.442 . . . . 71.52 109.806 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -111.82 149.62 31.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.708 0.29 . . . . 73.54 110.486 177.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.502 ' O ' HG22 ' A' ' 46' ' ' VAL . 55.5 t -100.83 127.27 54.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.83 -0.804 . . . . 75.34 108.83 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.3 mp -114.29 167.4 10.73 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.815 0.341 . . . . 73.02 110.881 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 11.3 tt -139.08 141.97 34.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 115.572 -0.74 . . . . 72.04 110.241 174.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.568 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 47.1 t-20 -103.55 151.58 22.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.83 -1.174 . . . . 75.55 107.83 170.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -47.84 -29.72 3.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.064 0.853 . . . . 61.45 111.925 -171.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 59.6 mm-40 -77.97 32.36 0.17 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.167 -0.469 . . . . 73.21 111.242 175.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' HB2' ' H ' ' A' ' 67' ' ' ARG . 12.0 mm-40 54.91 24.74 6.08 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.928 0.491 . . . . 74.33 111.705 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.6 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.1 mt-30 -81.65 115.99 21.18 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.29 -0.564 . . . . 74.21 109.964 -174.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -103.21 132.27 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.606 -0.27 . . . . 74.33 110.672 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -151.61 -177.81 6.32 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.583 -0.525 . . . . 53.22 109.583 -176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 20' ' ' PHE . 52.8 tp -134.0 120.98 20.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.654 -0.248 . . . . 74.5 110.375 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -114.22 135.17 22.15 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.376 -0.375 . . . . 63.34 110.347 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -80.09 154.6 22.41 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.641 2.227 . . . . 51.42 113.104 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -60.28 -27.68 67.46 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.869 -0.605 . . . . 70.21 111.617 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' CD2' ' HB2' ' A' ' 12' ' ' PRO . 35.1 m-85 -79.44 2.55 21.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.759 -0.655 . . . . 72.31 111.774 -175.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.16 156.99 42.02 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.766 0.317 . . . . 71.31 110.796 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -84.96 139.06 32.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.681 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.64 117.58 29.41 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 123.42 0.45 . . . . 54.22 110.159 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.3 127.86 13.91 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.456 2.104 . . . . 75.04 112.169 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.36 128.35 33.78 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.08 -0.509 . . . . 52.4 110.22 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.98 -19.31 27.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 111.644 -0.582 . . . . 61.12 111.644 -174.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -114.66 125.31 53.6 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 65.54 109.515 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -103.62 147.37 27.29 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 110.136 -0.32 . . . . 75.23 110.136 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.428 HG13 ' HB2' ' A' ' 21' ' ' PHE . 60.0 t -81.35 114.28 22.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.669 0.271 . . . . 42.52 110.466 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.22 -28.91 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.147 -0.478 . . . . 54.42 110.61 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -131.67 122.56 26.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.832 -0.803 . . . . 72.55 108.832 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.88 -178.02 6.24 Favored Glycine 0 C--N 1.331 0.257 0 O-C-N 123.572 0.545 . . . . 73.14 113.105 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 21' ' ' PHE . 2.1 mp0 -55.71 111.4 0.9 Allowed 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.645 -0.502 . . . . 63.23 109.645 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.02 166.42 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 24.11 111.019 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 t -62.74 152.23 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.622 -0.717 . . . . 62.51 110.986 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 16' ' ' GLU . 19.8 tpt180 -49.11 -52.83 23.69 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.257 -0.883 . . . . 61.4 112.492 -174.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.21 97.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.488 0.185 . . . . 62.54 111.129 -175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.8 m -61.4 -47.48 85.59 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.074 0.464 . . . . 73.43 110.464 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' O ' HG23 ' A' ' 59' ' ' VAL . 57.8 m -59.55 -51.76 68.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.488 -0.778 . . . . 64.42 110.764 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.93 -38.66 81.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.016 -0.538 . . . . 63.11 110.518 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.84 -44.31 97.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.724 -0.671 . . . . 72.21 110.668 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -62.34 -49.01 77.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.062 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' CYS . 58.0 t -57.71 -36.61 55.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 115.942 -0.572 . . . . 73.44 110.627 175.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.23 -43.92 93.48 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.926 -0.579 . . . . 75.12 110.94 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -69.7 -37.54 76.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 74.24 110.809 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -94.02 13.64 22.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 73.44 111.08 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -49.62 -40.65 39.94 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.795 0.331 . . . . 75.22 111.057 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.8 p -72.64 -24.11 61.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.789 -0.641 . . . . 62.45 112.054 -176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.62 87.24 0.08 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.4 -0.364 . . . . 73.45 110.883 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 68' ' ' PRO . 38.6 mt -147.96 117.82 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 108.917 -0.771 . . . . 55.33 108.917 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.742 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 2.2 tmm_? -69.72 -52.57 13.6 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 110.094 -0.336 . . . . 74.24 110.094 -177.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 23.7 Cg_exo -65.92 161.31 40.09 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 121.927 1.751 . . . . 54.14 111.584 169.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -126.37 145.2 50.55 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.786 -0.45 . . . . 61.4 109.786 174.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.2 t -143.27 139.66 30.28 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.417 -0.356 . . . . 33.04 110.202 -177.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -73.67 93.84 2.13 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.429 -0.582 . . . . 51.23 109.429 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.3 mmp_? -81.51 -63.35 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 54.12 110.518 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -130.78 160.61 33.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.93 -0.577 . . . . 70.21 110.488 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -84.71 124.74 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.877 -0.786 . . . . 75.42 108.877 170.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 76' ' ' ALA . 3.6 pp -60.2 -24.37 64.75 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.177 0.513 . . . . 72.41 110.927 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.513 ' N ' HD12 ' A' ' 75' ' ' LEU . . . -139.73 119.59 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.747 -0.66 . . . . 72.54 109.539 175.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -69.38 110.5 4.72 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.531 -0.544 . . . . 75.32 109.531 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 138.64 -138.49 9.49 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 110.725 -0.95 . . . . 74.32 110.725 -174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -154.82 110.9 3.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.831 0.316 . . . . 65.34 110.18 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.839 -0.978 . . . . 64.22 111.29 179.13 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.038 -0.425 . . . . 54.31 112.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.84 148.9 63.87 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.053 2.502 . . . . 55.43 112.621 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.14 31.19 7.94 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.864 -0.607 . . . . 63.2 112.61 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 p -97.17 95.62 7.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.02 -0.363 . . . . 64.22 110.02 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 5' ' ' MET . 1.7 mpt? -83.02 130.81 35.18 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.997 -0.372 . . . . 62.22 109.997 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -105.41 142.74 34.64 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.297 -0.631 . . . . 72.41 109.297 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 10' ' ' ASP . 53.4 mt -63.34 156.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.469 -0.567 . . . . 74.52 109.469 176.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.1 mtp -57.95 -59.51 5.14 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.509 -0.552 . . . . 64.41 109.509 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 t -82.13 73.73 9.15 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.32 -0.622 . . . . 52.44 109.32 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.595 ' HB2' ' HB ' ' A' ' 7' ' ' ILE . 28.2 t70 -145.72 136.74 24.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.453 -0.794 . . . . 71.14 108.99 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.603 ' ND2' ' HB2' ' A' ' 14' ' ' ASP . 22.2 t-20 -125.33 78.31 67.56 Favored Pre-proline 0 C--N 1.328 -0.366 0 O-C-N 123.104 0.253 . . . . 72.51 110.801 -172.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 14' ' ' ASP . 92.4 Cg_endo -86.73 -51.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.675 2.25 . . . . 75.11 112.884 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -118.81 14.55 13.39 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.964 0.411 . . . . 73.14 110.717 -176.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.603 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 3.4 m-20 -101.09 2.92 40.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.997 -0.547 . . . . 64.53 111.041 -174.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -86.49 -158.1 0.4 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.901 0.381 . . . . 71.14 111.542 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -114.4 -14.59 12.18 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.284 -0.416 . . . . 72.15 111.787 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -76.14 -23.0 54.8 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.054 0.454 . . . . 74.54 110.718 -173.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.07 137.41 15.08 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.886 -0.597 . . . . 55.12 112.012 177.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mtp -81.37 127.73 33.08 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.41 -0.589 . . . . 71.05 109.41 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -118.66 152.1 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.338 -0.392 . . . . 71.52 110.279 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -106.95 148.62 28.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.036 -0.357 . . . . 73.54 110.036 172.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.7 t -98.6 123.57 51.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.675 0 N-CA-C 108.876 -0.787 . . . . 75.34 108.876 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 45' ' ' VAL . 56.7 mt -103.19 172.0 7.06 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.949 0.781 . . . . 73.02 110.641 -175.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 4.1 tt -152.12 161.96 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.139 0.495 . . . . 72.04 111.031 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' HG12 ' A' ' 24' ' ' ILE . 26.7 t-20 -130.97 155.3 47.05 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 107.764 -1.198 . . . . 75.55 107.764 166.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' CG ' HH12 ' A' ' 44' ' ' ARG . 18.7 m-20 -55.21 -17.66 4.75 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.966 0.791 . . . . 61.45 112.001 -169.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HB3' ' HG3' ' A' ' 68' ' ' PRO . 22.8 mm-40 -80.31 24.7 0.43 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.026 -0.534 . . . . 73.21 110.571 173.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' HG3' ' NH1' ' A' ' 67' ' ' ARG . 30.9 mm-40 50.91 30.46 5.25 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.441 0.639 . . . . 74.33 110.613 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.598 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 32.5 tt0 -83.75 116.19 22.57 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.299 -0.864 . . . . 74.21 108.754 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -114.84 143.91 44.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.818 0.342 . . . . 74.33 111.707 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -151.69 -177.67 6.25 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.694 -0.685 . . . . 53.22 109.551 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 tp -134.57 134.86 41.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.941 -0.392 . . . . 74.5 109.941 -175.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.492 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 14.5 t-105 -136.19 139.26 29.49 Favored Pre-proline 0 N--CA 1.467 0.376 0 CA-C-N 116.918 -0.128 . . . . 63.34 111.054 -172.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -83.91 152.98 12.96 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.719 2.28 . . . . 51.42 113.157 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -62.38 -27.21 68.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.476 -0.783 . . . . 70.21 111.701 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -67.67 -13.08 61.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 72.31 111.319 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.0 153.96 46.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.591 0.234 . . . . 71.31 110.457 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.26 152.29 22.06 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.59 -0.277 . . . . 73.44 110.778 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.1 t -56.01 128.01 70.38 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.801 -0.636 . . . . 54.22 111.39 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.42 142.53 45.27 Favored 'Trans proline' 0 C--O 1.242 0.689 0 C-N-CA 122.843 2.362 . . . . 75.04 112.548 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.17 130.23 25.92 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 52.4 111.328 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.72 -27.66 18.76 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.883 -0.599 . . . . 61.12 112.29 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -98.51 156.87 16.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.666 0.233 . . . . 65.54 110.832 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.448 HH12 ' CG ' ' A' ' 26' ' ' ASP . 5.1 ptp180 -138.46 149.52 45.53 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.384 -0.371 . . . . 75.23 110.254 176.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' HA ' HD23 ' A' ' 23' ' ' LEU . 52.2 t -76.2 133.88 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.484 -0.326 . . . . 42.52 110.809 -177.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -112.87 -39.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.093 -0.706 . . . . 54.42 109.093 172.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -118.53 121.83 41.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.162 -1.051 . . . . 72.55 108.162 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 178.12 16.04 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.116 -0.564 . . . . 73.14 112.708 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 111.41 0.87 Allowed 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.282 0.563 . . . . 63.23 110.407 178.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.98 166.76 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.524 -0.762 . . . . 24.11 110.467 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 p -58.44 156.99 9.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.356 -0.838 . . . . 62.51 111.109 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.5 tpt180 -53.15 -52.31 59.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 61.4 111.599 -176.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.99 84.4 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.137 0.421 . . . . 62.54 112.137 -173.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 p -59.01 -48.76 80.44 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 121.228 0.537 . . . . 73.43 110.748 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.7 m -59.39 -48.14 82.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.504 -0.771 . . . . 64.42 110.502 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 52' ' ' ARG . 84.4 t -62.6 -38.52 81.71 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-N 115.871 -0.604 . . . . 63.11 110.636 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.41 -43.32 94.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 72.21 110.351 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -62.21 -55.42 28.77 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.356 -0.384 . . . . 75.13 110.369 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.12 -43.62 60.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.009 -0.541 . . . . 73.44 111.332 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.53 -49.35 77.73 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.495 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -61.71 -46.37 89.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.013 -0.54 . . . . 74.24 111.336 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -94.25 13.1 24.5 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.933 0.397 . . . . 73.44 110.712 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 67.5 t90 -57.38 -57.25 13.47 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.364 -0.38 . . . . 75.22 110.782 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 t -82.07 67.85 8.24 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.922 0.867 . . . . 62.45 111.566 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -156.39 27.87 0.34 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.427 -0.806 . . . . 73.45 110.346 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.76 115.14 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.227 -0.657 . . . . 55.33 109.227 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.595 ' NH1' ' HG3' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -64.36 -54.28 39.46 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.287 -0.415 . . . . 74.24 111.266 -173.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 50.6 Cg_endo -87.13 90.27 0.58 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.323 2.015 . . . . 54.14 111.955 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -79.49 80.13 5.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.512 -0.313 . . . . 61.4 111.096 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -56.8 -38.4 72.5 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 109.378 -0.601 . . . . 33.04 109.378 173.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.1 pp -119.5 149.97 41.02 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.217 -0.901 . . . . 51.23 109.256 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -116.59 172.61 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.038 -0.356 . . . . 54.12 110.038 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.97 -173.86 2.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.361 0.601 . . . . 70.21 111.683 -175.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -169.59 78.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.853 -1.067 . . . . 75.42 108.269 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.7 tp -159.55 -46.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.531 -0.759 . . . . 72.41 110.125 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.66 92.9 0.02 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.588 -0.733 . . . . 72.54 110.607 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -80.13 -11.71 59.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.67 -0.695 . . . . 75.32 110.164 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.63 -76.39 1.16 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 115.76 -0.655 . . . . 74.32 112.123 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -174.96 -27.29 0.01 OUTLIER 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.479 0.657 . . . . 65.34 109.29 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.158 -1.357 . . . . 64.22 110.937 175.826 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.55 -0.62 . . . . 54.31 111.55 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.29 130.08 38.25 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.844 2.363 . . . . 55.43 112.279 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.02 -78.27 1.42 Allowed Glycine 0 CA--C 1.52 0.364 0 CA-C-N 116.035 -0.53 . . . . 63.2 112.855 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -67.53 97.42 0.59 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.815 0.341 . . . . 64.22 111.355 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 22.7 ptp -154.55 147.36 24.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.132 -0.485 . . . . 62.22 110.196 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.73 33.71 20.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.328 0.585 . . . . 72.41 111.144 177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 tp -107.01 129.33 60.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.385 -0.825 . . . . 74.52 109.303 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.7 tpt 67.03 8.7 6.34 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.249 0.547 . . . . 64.41 110.645 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -100.05 -162.28 0.93 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.19 -0.459 . . . . 52.44 110.497 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.86 93.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.984 0.421 . . . . 71.14 110.212 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -104.16 129.77 24.55 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.718 -0.674 . . . . 72.51 109.382 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.03 14.0 0.22 Allowed 'Trans proline' 0 N--CA 1.477 0.544 0 C-N-CA 122.728 2.285 . . . . 75.11 113.98 -172.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -118.63 12.75 13.2 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.155 0.182 . . . . 73.14 110.96 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -95.36 20.94 8.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.84 0.352 . . . . 64.53 110.924 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.78 173.81 8.58 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.843 0.354 . . . . 71.14 110.945 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.12 -34.63 15.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.271 0.558 . . . . 72.15 110.944 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -71.27 -23.05 61.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.269 -0.878 . . . . 74.54 111.304 -173.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.64 127.33 16.08 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.854 -0.689 . . . . 55.12 111.81 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.7 mmm -82.97 127.56 33.65 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.677 -0.86 . . . . 71.05 108.677 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -120.41 157.6 28.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.666 0.269 . . . . 71.52 110.777 -173.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -115.79 149.1 39.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 73.54 110.007 172.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 46' ' ' VAL . 21.7 t -106.02 129.79 58.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.933 -0.765 . . . . 75.34 108.933 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 45' ' ' VAL . 32.7 mt -107.8 173.73 6.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.847 -0.615 . . . . 73.02 110.875 -173.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.6 tt -147.32 148.54 16.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-O 121.0 0.429 . . . . 72.04 110.934 172.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.8 t30 -117.92 155.06 30.86 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 108.224 -1.028 . . . . 75.55 108.224 169.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 28' ' ' GLU . 27.8 m-20 -49.39 -30.2 7.45 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 124.017 0.823 . . . . 61.45 112.419 -168.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 2.1 mp0 -75.38 31.19 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.881 176.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.529 ' HA ' HD11 ' A' ' 24' ' ' ILE . 41.9 mm-40 49.95 27.04 2.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 123.436 0.694 . . . . 74.33 111.869 -175.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.585 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 98.7 mt-30 -80.21 116.14 20.14 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 109.459 -0.571 . . . . 74.21 109.459 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -107.45 145.51 32.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.981 -0.378 . . . . 74.33 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -156.45 171.62 19.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.067 -0.716 . . . . 53.22 109.067 -175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 HG22 ' A' ' 22' ' ' VAL . 39.0 tp -123.37 130.18 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.675 -0.491 . . . . 74.5 109.675 -175.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.402 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 12.0 t-105 -130.43 135.2 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 63.34 110.393 -174.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -83.07 153.87 14.55 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.578 2.186 . . . . 51.42 112.711 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -64.41 -12.64 45.15 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.788 -0.642 . . . . 70.21 111.517 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -82.17 -6.94 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.559 . . . . 72.31 111.692 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.33 159.41 37.04 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.896 0.379 . . . . 71.31 111.401 -176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.49 141.41 44.92 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.368 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.62 123.55 88.05 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 110.029 -0.36 . . . . 54.22 110.029 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.13 125.73 15.78 Favored 'Trans proline' 0 C--O 1.24 0.581 0 C-N-CA 122.424 2.082 . . . . 75.04 111.745 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.21 128.16 29.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 52.4 110.581 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.7 -27.56 12.0 Favored Glycine 0 N--CA 1.452 -0.258 0 N-CA-C 111.656 -0.578 . . . . 61.12 111.656 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -98.92 116.13 30.45 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.782 -0.451 . . . . 65.54 109.782 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -95.13 145.6 24.89 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 110.167 -0.308 . . . . 75.23 110.167 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' HA ' HD23 ' A' ' 23' ' ' LEU . 32.5 t -76.69 113.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.093 -0.503 . . . . 42.52 110.388 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.8 m -92.09 -32.64 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.326 0.584 . . . . 54.42 109.614 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -125.17 108.18 11.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.055 -1.091 . . . . 72.55 108.055 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.16 175.0 4.4 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.148 -0.548 . . . . 73.14 112.498 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -55.02 119.34 5.29 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.397 0.618 . . . . 63.23 110.065 -177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.51 166.85 28.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.614 -0.721 . . . . 24.11 110.754 -172.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.9 m -56.29 147.78 20.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.279 -0.873 . . . . 62.51 111.644 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 tpt180 -47.14 -50.14 20.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.884 -1.053 . . . . 61.4 111.661 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.63 82.6 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.008 0.373 . . . . 62.54 112.008 -176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.28 -51.7 66.64 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 121.394 0.616 . . . . 73.43 110.2 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.3 m -56.97 -45.32 82.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.246 -0.888 . . . . 64.42 110.389 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 52' ' ' ARG . 75.5 t -63.66 -41.56 93.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.423 -0.353 . . . . 63.11 110.857 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.58 -42.8 99.38 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.29 -0.414 . . . . 72.21 110.57 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.423 ' HD2' HG11 ' A' ' 22' ' ' VAL . 82.2 t80 -70.41 -45.19 66.39 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.327 -0.549 . . . . 75.13 110.659 177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' CYS . 68.2 t -58.83 -33.0 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.61 -0.268 . . . . 73.44 111.049 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.01 -33.89 65.3 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.401 0.62 . . . . 75.12 110.539 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.91 -1.98 3.48 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.194 -0.912 . . . . 74.24 112.17 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -64.56 -1.32 1.74 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 112.098 0.407 . . . . 73.44 112.098 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -84.27 11.99 7.39 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.406 0.622 . . . . 75.22 109.978 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 p -74.84 -173.31 1.84 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.741 -0.663 . . . . 62.45 110.877 174.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.89 95.7 0.38 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.736 0.303 . . . . 73.45 111.605 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.6 mt -73.06 107.2 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.05 -0.722 . . . . 55.33 109.05 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 1.9 tmt_? -55.5 -54.76 47.67 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 115.708 -0.678 . . . . 74.24 112.178 -172.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 27' ' ' GLU . 72.5 Cg_endo -73.25 -89.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.85 1.7 . . . . 54.14 112.879 -177.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -129.53 131.73 46.68 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.422 -0.585 . . . . 61.4 109.422 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 t -59.81 140.57 56.48 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.602 -0.518 . . . . 33.04 109.602 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.8 tp -80.75 45.94 0.84 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.249 0.547 . . . . 51.23 111.106 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -10.99 60.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.211 -0.449 . . . . 54.12 111.13 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -71.68 -20.28 61.96 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.136 -0.484 . . . . 70.21 110.874 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -77.09 92.44 3.77 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.243 0.544 . . . . 75.42 110.388 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 76' ' ' ALA . 7.7 tt -77.15 134.32 38.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.43 -0.805 . . . . 72.41 109.23 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' N ' HD23 ' A' ' 75' ' ' LEU . . . -145.86 -50.86 0.24 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.137 -0.938 . . . . 72.54 108.994 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.9 m -104.63 98.77 8.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.102 -0.954 . . . . 75.32 109.226 172.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.89 -126.61 1.84 Allowed Glycine 0 C--O 1.237 0.302 0 N-CA-C 111.436 -0.666 . . . . 74.32 111.436 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.51 82.83 7.77 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.468 -0.938 . . . . 65.34 108.468 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 119.024 -0.875 . . . . 64.22 111.478 -176.282 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.51 -0.636 . . . . 54.31 111.51 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -88.03 11.69 3.06 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.154 2.569 . . . . 55.43 112.615 -178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.31 -88.07 0.33 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.15 -0.548 . . . . 63.2 111.972 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.1 t 58.22 20.19 6.9 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.088 0.471 . . . . 64.22 111.034 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -68.96 -40.65 78.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.978 -0.556 . . . . 62.22 111.22 -175.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -132.12 135.43 46.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 72.41 111.003 -176.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.6 mp -95.25 -45.04 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.902 -0.59 . . . . 74.52 109.733 177.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.1 mmt -84.23 137.5 33.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.833 -0.622 . . . . 64.41 110.451 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -62.84 -39.12 93.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.025 -0.534 . . . . 52.44 111.538 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.58 108.04 19.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.422 -0.354 . . . . 71.14 111.072 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.516 ' HB3' ' HD2' ' A' ' 12' ' ' PRO . 16.4 m120 -123.7 164.01 31.42 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 109.369 -0.604 . . . . 72.51 109.369 176.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' A' ' 11' ' ' ASN . 37.0 Cg_endo -64.47 4.25 0.65 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.937 2.425 . . . . 75.11 113.839 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -118.23 14.51 13.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.328 . . . . 73.14 110.361 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.76 12.47 25.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.14 -0.482 . . . . 64.53 110.731 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -82.27 139.39 34.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.858 -0.423 . . . . 71.14 109.858 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.458 ' HA ' ' HB2' ' A' ' 52' ' ' ARG . 9.7 pt-20 -62.4 -19.55 63.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.941 0.401 . . . . 72.15 111.186 -177.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -74.78 -22.73 58.6 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.685 -0.688 . . . . 74.54 110.541 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.66 142.48 27.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.044 -0.598 . . . . 55.12 112.07 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.432 ' O ' HG23 ' A' ' 35' ' ' THR . 80.3 mtp -96.43 127.63 42.61 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.606 -0.516 . . . . 71.05 109.606 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' HB2' HD22 ' A' ' 32' ' ' LEU . 3.6 m-85 -129.4 154.56 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.635 -0.506 . . . . 71.52 109.635 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.69 143.06 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.958 -0.386 . . . . 73.54 109.958 176.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 46' ' ' VAL . 58.6 t -95.79 128.82 46.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.315 -0.624 . . . . 75.34 109.315 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 45' ' ' VAL . 30.8 mt -114.46 167.03 11.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.38 -0.827 . . . . 73.02 109.491 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.8 tt -151.37 147.63 15.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.714 0.293 . . . . 72.04 110.42 175.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.562 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 54.6 t30 -110.87 155.64 22.31 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.75 -0.833 . . . . 75.55 108.75 170.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -58.66 -16.55 16.73 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.026 0.75 . . . . 61.45 113.026 -168.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 10.4 mp0 -83.73 34.04 0.48 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.099 -0.334 . . . . 73.21 110.099 170.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' HG2' ' HG2' ' A' ' 67' ' ' ARG . 8.1 mm-40 49.19 30.33 3.0 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 123.08 0.552 . . . . 74.33 110.928 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 93.3 mt-30 -78.79 116.36 19.08 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.724 -0.473 . . . . 74.21 109.724 -176.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -88.09 137.55 32.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.341 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 t -144.74 155.01 43.33 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.034 -0.358 . . . . 53.22 110.034 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 55' ' ' CYS . 0.8 OUTLIER -132.0 115.14 15.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.58 -0.896 . . . . 74.5 108.58 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -116.94 128.06 26.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 63.34 110.768 -170.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.51 157.8 36.39 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.593 2.195 . . . . 51.42 112.315 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 19' ' ' MET . 25.2 p -62.51 -14.1 37.93 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.735 -0.666 . . . . 70.21 111.984 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -79.02 0.17 28.78 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.059 -0.519 . . . . 72.31 111.905 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.87 163.38 32.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.851 0.357 . . . . 71.31 111.279 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -93.68 152.32 19.05 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.032 -0.531 . . . . 73.44 110.066 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.33 123.82 67.92 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.986 -0.552 . . . . 54.22 111.384 -177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -65.17 129.85 24.02 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.729 2.286 . . . . 75.04 112.585 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.63 128.14 19.72 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.322 -0.854 . . . . 52.4 111.157 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.67 -27.96 12.39 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.99 -0.55 . . . . 61.12 111.918 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -95.41 135.58 36.86 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.178 -0.305 . . . . 65.54 110.178 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -102.88 142.54 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.603 -0.517 . . . . 75.23 109.603 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.544 ' HA ' HD23 ' A' ' 23' ' ' LEU . 41.0 t -79.43 112.29 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 42.52 110.6 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -90.46 -32.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.91 0.386 . . . . 54.42 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -138.42 127.01 23.39 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.098 -0.705 . . . . 72.55 109.098 -177.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.81 174.06 29.6 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.222 -0.513 . . . . 73.14 112.222 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -55.65 111.06 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.261 0.553 . . . . 63.23 111.429 -177.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.46 166.39 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.658 -0.701 . . . . 24.11 109.624 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 t -62.52 164.42 7.51 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.826 0.346 . . . . 62.51 111.146 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' HA ' ' A' ' 16' ' ' GLU . 14.4 tpp180 -50.35 -52.51 36.42 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.79 -0.641 . . . . 61.4 111.945 -175.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.61 -49.73 76.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.516 -0.311 . . . . 62.54 111.618 -173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 m -55.22 -47.5 75.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.462 0.648 . . . . 73.43 110.18 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 59' ' ' VAL . 76.0 m -61.91 -49.31 76.69 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.112 -0.949 . . . . 64.42 111.04 -179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' ARG . 83.1 t -59.72 -44.77 94.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 120.787 0.327 . . . . 63.11 110.818 -178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.51 -47.65 84.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.035 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -61.19 -45.97 92.38 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.474 -0.785 . . . . 75.13 110.372 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 55' ' ' CYS . 95.5 t -58.47 -41.16 80.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 116.158 -0.474 . . . . 73.44 111.508 176.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.59 -29.38 70.0 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.843 0.354 . . . . 75.12 111.002 -176.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.56 -2.07 0.3 Allowed 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.995 -0.548 . . . . 74.24 112.471 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -65.87 11.38 0.08 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.382 0.882 . . . . 73.44 113.382 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -74.88 -2.0 24.89 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.244 0.475 . . . . 75.22 112.077 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.9 m -75.54 -57.26 3.99 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.559 0.219 . . . . 62.45 111.549 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -147.52 146.37 29.45 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.034 0.383 . . . . 73.45 112.034 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.54 HG21 ' HG ' ' A' ' 71' ' ' LEU . 38.0 mm -139.87 111.67 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 108.546 -0.909 . . . . 55.33 108.546 171.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.615 ' HB2' ' HD3' ' A' ' 68' ' ' PRO . 2.8 mmp_? -64.41 -52.47 53.16 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 111.984 0.364 . . . . 74.24 111.984 -176.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.615 ' HD3' ' HB2' ' A' ' 67' ' ' ARG . 52.5 Cg_exo -54.91 96.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.137 1.891 . . . . 54.14 112.08 172.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -66.37 -29.65 69.87 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.974 0.416 . . . . 61.4 110.456 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 p -80.67 69.1 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.482 -0.933 . . . . 33.04 108.482 169.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 66' ' ' ILE . 1.4 tt -63.57 103.7 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.026 -0.988 . . . . 51.23 111.273 -170.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 73' ' ' GLU . 99.1 mtt180 -81.59 145.07 30.82 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.744 -0.836 . . . . 54.12 108.744 171.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 72' ' ' ARG . 24.6 tt0 75.9 136.77 0.06 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.992 0.807 . . . . 70.21 109.568 -170.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -153.31 104.34 2.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.351 0.596 . . . . 75.42 111.822 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.9 tp -92.71 -23.33 18.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.302 -0.863 . . . . 72.41 109.457 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 64.94 -179.44 0.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.204 -0.907 . . . . 72.54 110.98 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -135.09 106.4 6.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 75.32 110.625 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.63 63.62 3.7 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.0 -0.84 . . . . 74.32 111.0 176.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -74.53 -33.07 62.68 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.19 0.519 . . . . 65.34 110.238 -175.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.893 -0.948 . . . . 64.22 111.583 -179.62 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 112.35 -0.3 . . . . 54.31 112.35 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.87 97.66 0.57 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.676 2.25 . . . . 55.43 111.767 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.26 84.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 N-CA-C 111.585 -0.606 . . . . 63.2 111.585 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 p -67.28 93.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.088 0.471 . . . . 64.22 111.147 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 10.4 tpt -88.32 166.39 14.33 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.858 -0.61 . . . . 62.22 110.084 176.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 5' ' ' MET . 75.4 mmtt 75.09 23.07 1.68 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.213 0.605 . . . . 72.41 110.901 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 pt -65.7 -18.43 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.159 -0.473 . . . . 74.52 110.872 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.2 mtp -73.83 123.3 23.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.848 -0.615 . . . . 64.41 110.051 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -73.92 -16.76 61.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.384 -0.371 . . . . 52.44 110.614 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.88 75.8 0.31 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.986 -0.552 . . . . 71.14 111.071 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.403 ' HB3' ' HD2' ' A' ' 13' ' ' PHE . 33.7 m-80 -144.49 131.98 10.48 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 109.193 -0.669 . . . . 72.51 109.193 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -67.47 0.23 4.32 Favored 'Trans proline' 0 N--CA 1.476 0.474 0 C-N-CA 122.441 2.094 . . . . 75.11 112.263 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HD2' ' HB3' ' A' ' 11' ' ' ASN . 36.9 m-85 -86.02 -10.87 54.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.891 -0.595 . . . . 73.14 111.314 -176.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -94.71 20.68 8.32 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.257 0.551 . . . . 64.53 110.027 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.87 172.63 1.63 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.446 -0.797 . . . . 71.14 110.595 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.12 -14.17 17.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 72.15 110.651 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -85.91 -22.88 27.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.772 -0.649 . . . . 74.54 111.475 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.9 155.97 45.29 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.962 -0.637 . . . . 55.12 112.202 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 69.1 mmm -92.57 126.99 37.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.882 -0.785 . . . . 71.05 108.882 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' HB2' HD11 ' A' ' 32' ' ' LEU . 7.7 m-85 -131.37 153.45 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 110.092 -0.336 . . . . 71.52 110.092 -177.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -105.53 154.43 20.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.523 -0.308 . . . . 73.54 110.343 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 46' ' ' VAL . 48.3 t -107.45 123.7 62.91 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.787 -0.82 . . . . 75.34 108.787 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 45' ' ' VAL . 39.1 mt -100.33 172.56 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.337 -0.847 . . . . 73.02 110.288 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 28' ' ' GLU . 11.3 tt -144.49 136.92 22.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 72.04 110.319 175.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 17.6 t30 -99.97 152.86 19.7 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.916 -1.142 . . . . 75.55 107.916 167.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -61.55 -4.26 1.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.997 0.74 . . . . 61.45 112.997 -166.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 43.3 mm-40 -90.74 24.57 2.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.45 -0.574 . . . . 73.21 109.45 171.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' ILE . 5.3 mm-40 56.57 28.28 13.67 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.905 0.882 . . . . 74.33 111.578 -174.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 53.4 mt-30 -78.07 116.75 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.21 110.503 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -85.04 152.78 23.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 74.33 110.022 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -166.4 135.62 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.665 -0.495 . . . . 53.22 109.665 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 20' ' ' PHE . 38.9 tp -93.69 122.63 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 74.5 110.088 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -122.87 128.88 25.21 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.181 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -79.43 155.58 24.9 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.735 2.29 . . . . 51.42 112.915 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -62.13 -20.57 64.21 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.656 -0.702 . . . . 70.21 111.389 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -78.07 -5.55 51.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.64 . . . . 72.31 111.633 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -121.33 173.52 7.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 71.31 111.388 -176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -103.27 139.68 38.39 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.33 -0.396 . . . . 73.44 110.53 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.81 115.65 20.55 Favored Pre-proline 0 CA--C 1.535 0.368 0 O-C-N 123.47 0.481 . . . . 54.22 110.072 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.5 136.57 40.01 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.526 2.151 . . . . 75.04 112.362 -177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.42 128.32 33.76 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.641 -0.709 . . . . 52.4 110.78 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.75 -28.32 11.63 Favored Glycine 0 N--CA 1.451 -0.348 0 N-CA-C 111.383 -0.687 . . . . 61.12 111.383 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -97.8 131.19 44.53 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.617 -0.512 . . . . 65.54 109.617 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -114.4 145.63 41.6 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.051 -0.351 . . . . 75.23 110.051 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' HA ' HD23 ' A' ' 23' ' ' LEU . 40.7 t -73.0 117.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 42.52 110.514 -178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -96.3 -35.54 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.255 0.55 . . . . 54.42 109.558 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.31 120.46 34.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.576 -0.898 . . . . 72.55 108.576 -176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.89 166.95 26.87 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.307 -0.473 . . . . 73.14 112.405 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.8 pt-20 -55.38 111.13 0.81 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.235 0.54 . . . . 63.23 110.337 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.44 167.04 23.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 24.11 111.034 -174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -54.49 145.23 18.98 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.867 -0.606 . . . . 62.51 111.085 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.3 tpt180 -47.73 -44.02 27.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.4 -0.818 . . . . 61.4 111.892 -175.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 62.54 111.771 -174.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.0 m -63.43 -44.55 94.23 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.587 0.708 . . . . 73.43 109.999 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.498 ' HB3' HD13 ' A' ' 32' ' ' LEU . 28.7 m -59.22 -48.48 81.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.125 -0.943 . . . . 64.42 110.398 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -60.96 -40.9 87.0 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.128 -0.487 . . . . 63.11 110.131 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.07 -43.73 78.25 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.542 -0.753 . . . . 72.21 110.533 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.58 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 67.0 t80 -70.49 -53.15 17.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.453 -0.339 . . . . 75.13 111.447 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 55' ' ' CYS . 93.7 t -52.66 -32.76 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 120.878 0.371 . . . . 73.44 111.125 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.24 -50.95 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.833 -0.621 . . . . 75.12 110.959 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 58' ' ' TYR . 13.9 pt20 -74.51 -33.18 62.73 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.12 -0.491 . . . . 74.24 111.554 -173.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -81.95 13.21 3.45 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.06 0.457 . . . . 73.44 111.262 -175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 48.8 t90 -74.65 -23.74 58.72 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 122.149 -0.344 . . . . 75.22 111.403 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 p -95.27 11.42 32.58 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.893 0.701 . . . . 62.45 112.893 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -89.84 123.03 33.45 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 109.636 -0.505 . . . . 73.45 109.636 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.666 HG12 HD23 ' A' ' 71' ' ' LEU . 60.1 mt -133.35 128.6 55.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 111.839 0.311 . . . . 55.33 111.839 -172.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.804 ' H ' ' HD2' ' A' ' 68' ' ' PRO . 11.1 mmt180 -118.87 -57.31 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 116.213 -0.448 . . . . 74.24 110.978 171.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.804 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 19.3 Cg_endo -55.65 -71.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.497 0 C-N-CA 122.702 2.268 . . . . 54.14 113.818 -169.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -144.44 -83.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.249 -0.278 . . . . 61.4 110.249 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.2 m -156.3 132.22 9.76 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.959 -0.386 . . . . 33.04 109.959 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.666 HD23 HG12 ' A' ' 66' ' ' ILE . 3.9 mm? -96.13 109.63 22.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.451 -0.341 . . . . 51.23 110.593 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -126.63 130.33 50.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.093 -0.706 . . . . 54.12 109.093 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -151.01 162.94 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.143 -0.317 . . . . 70.21 110.143 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB2' ' NZ ' ' A' ' 74' ' ' LYS . 5.0 ttmp? -92.75 147.46 22.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.01 -0.541 . . . . 75.42 110.513 -176.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 75' ' ' LEU . 6.3 mp -78.26 134.88 37.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.466 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.93 118.48 27.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.393 . . . . 72.54 110.109 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 p -77.73 98.2 5.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.887 0.375 . . . . 75.32 110.737 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 85.93 172.55 48.86 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.832 -0.622 . . . . 74.32 112.248 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -107.59 -4.0 18.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.185 0.517 . . . . 65.34 110.192 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.62 -1.1 . . . . 64.22 111.112 178.029 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 112.287 -0.325 . . . . 54.31 112.287 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.2 61.04 7.65 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.796 2.331 . . . . 55.43 112.604 -178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.68 79.68 0.1 OUTLIER Glycine 0 CA--C 1.519 0.305 0 CA-C-N 116.087 -0.506 . . . . 63.2 112.822 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.7 m -58.88 98.08 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.952 0.406 . . . . 64.22 110.676 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 49.8 ttm -76.14 -62.84 1.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.861 -0.609 . . . . 62.22 110.887 -177.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' NZ ' ' SD ' ' A' ' 8' ' ' MET . 6.0 ttpm? -166.17 154.55 10.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 72.41 109.676 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 tt -69.92 131.2 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 109.647 -0.501 . . . . 74.52 109.647 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.48 ' SD ' ' NZ ' ' A' ' 6' ' ' LYS . 95.0 mmm -120.72 145.83 47.09 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.083 -0.34 . . . . 64.41 110.083 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 m -60.19 -25.71 65.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 52.44 111.315 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -112.39 119.19 37.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 71.14 110.42 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -160.3 143.21 9.94 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 109.917 -0.401 . . . . 72.51 109.917 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.52 19.56 1.32 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.809 2.34 . . . . 75.11 113.197 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -101.9 -1.23 32.5 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.613 0.244 . . . . 73.14 111.07 -177.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -106.4 -6.32 18.34 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.092 0.472 . . . . 64.53 110.522 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -66.69 151.75 46.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.383 0.611 . . . . 71.14 112.201 -175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 13.4 pt-20 -69.22 -18.16 63.86 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.979 -1.01 . . . . 72.15 112.79 -170.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -74.88 -22.76 58.47 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.92 0.341 . . . . 74.54 111.92 -172.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.21 150.57 21.45 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.865 -0.683 . . . . 55.12 112.835 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 35.8 mmm -95.83 127.33 41.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.482 -0.933 . . . . 71.05 108.482 173.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.489 ' HB2' HD11 ' A' ' 32' ' ' LEU . 6.5 m-85 -131.91 163.19 28.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.9 -0.408 . . . . 71.52 109.9 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.501 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.45 149.49 30.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.919 -0.4 . . . . 73.54 109.919 175.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.413 ' C ' HD12 ' A' ' 23' ' ' LEU . 97.0 t -99.73 127.46 52.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 109.516 -0.55 . . . . 75.34 109.516 -177.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.4 mp -115.76 167.76 10.65 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.163 0.506 . . . . 73.02 110.631 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 28' ' ' GLU . 7.3 tt -145.94 148.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.419 -0.81 . . . . 72.04 109.676 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -103.78 152.24 22.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.027 -1.101 . . . . 75.55 108.027 169.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.0 t70 -54.18 -25.78 24.46 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.062 0.851 . . . . 61.45 112.157 -168.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.21 16.49 0.17 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.211 174.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.548 ' HA ' HD11 ' A' ' 24' ' ' ILE . 41.5 mt-10 61.78 34.71 17.11 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.844 0.857 . . . . 74.33 110.803 -177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.525 HE21 ' HH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -87.32 118.58 26.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.5 -0.773 . . . . 74.21 109.722 -179.479 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -84.97 138.9 32.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 74.33 111.355 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 p -149.97 175.41 11.71 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.39 -0.368 . . . . 53.22 110.875 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 21' ' ' PHE . 51.5 tp -141.26 132.26 26.12 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.474 -0.565 . . . . 74.5 109.474 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -127.65 134.43 26.18 Favored Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 122.865 0.103 . . . . 63.34 110.824 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -79.49 154.78 24.36 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.832 2.355 . . . . 51.42 112.916 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.408 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 18.0 p -62.34 -25.84 68.12 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.923 -0.58 . . . . 70.21 111.868 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -71.0 -9.8 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.832 -175.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.26 150.37 48.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.665 0.269 . . . . 71.31 110.632 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -79.31 152.82 30.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.34 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.4 t -55.66 122.69 47.18 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 123.757 0.661 . . . . 54.22 110.897 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.62 123.87 9.8 Favored 'Trans proline' 0 C--O 1.242 0.692 0 C-N-CA 122.52 2.147 . . . . 75.04 112.178 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.56 128.88 24.33 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.462 -0.79 . . . . 52.4 110.532 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.7 20.91 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.905 -0.588 . . . . 61.12 112.315 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HH2' HE21 ' A' ' 29' ' ' GLN . 76.5 m95 -108.9 150.86 27.08 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.759 0.279 . . . . 65.54 110.321 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -121.32 139.78 52.97 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.823 -0.436 . . . . 75.23 109.823 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -83.61 113.74 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.704 0.288 . . . . 42.52 111.086 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -89.81 -34.13 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-O 121.374 0.607 . . . . 54.42 110.723 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.82 119.94 26.75 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.311 -0.996 . . . . 72.55 108.311 -178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.8 -176.52 2.36 Favored Glycine 0 C--N 1.335 0.521 0 C-N-CA 121.262 -0.495 . . . . 73.14 112.303 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 131.04 44.74 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.421 0.629 . . . . 63.23 111.496 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.61 163.54 40.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.222 -0.899 . . . . 24.11 109.634 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 p -57.16 140.48 49.4 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 120.659 0.266 . . . . 62.51 110.523 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.62 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 3.7 tmt_? -47.49 -40.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.611 -0.722 . . . . 61.4 111.233 -175.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.43 -48.77 79.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.76 -0.2 . . . . 62.54 111.059 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.3 m -60.96 -40.15 92.25 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.274 0.559 . . . . 73.43 109.768 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' HG23 ' A' ' 59' ' ' VAL . 41.3 m -58.15 -51.92 67.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.396 -0.82 . . . . 64.42 110.493 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.48 -37.3 79.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.858 -0.61 . . . . 63.11 110.842 -178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.06 -45.44 94.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 72.21 110.112 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -64.48 -50.52 67.14 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.593 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 55' ' ' CYS . 85.8 t -53.91 -48.5 62.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.408 -0.36 . . . . 73.44 110.577 177.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.53 -52.19 66.71 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.504 -0.771 . . . . 75.12 111.092 -177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -69.04 -24.34 64.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.29 -0.414 . . . . 74.24 111.012 -178.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -94.56 13.98 22.35 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.651 -0.25 . . . . 73.44 111.389 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -56.99 -48.92 77.29 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 110.114 -0.328 . . . . 75.22 110.114 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.3 p 39.37 -92.22 0.01 OUTLIER 'General case' 0 C--O 1.238 0.5 0 O-C-N 124.4 1.062 . . . . 62.45 112.177 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -173.61 119.6 0.3 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.289 0.566 . . . . 73.45 110.129 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.786 HG22 ' HD2' ' A' ' 68' ' ' PRO . 53.9 mt -84.19 136.15 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.599 -0.728 . . . . 55.33 109.632 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -60.99 -50.65 83.86 Favored Pre-proline 0 N--CA 1.47 0.573 0 N-CA-C 112.058 0.392 . . . . 74.24 112.058 -175.322 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.786 ' HD2' HG22 ' A' ' 66' ' ' ILE . 73.5 Cg_exo -52.22 112.78 0.95 Allowed 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.142 1.228 . . . . 54.14 110.772 166.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -56.99 -24.24 51.96 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.998 -0.547 . . . . 61.4 111.449 -171.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t 62.41 21.73 12.76 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.161 0.505 . . . . 33.04 110.685 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.1 tp -73.8 144.75 45.44 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.813 -0.63 . . . . 51.23 110.611 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.1 tpm_? -144.3 159.44 42.69 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.595 -0.52 . . . . 54.12 109.595 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.64 86.72 0.08 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.087 0.47 . . . . 70.21 110.558 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -167.13 105.99 0.58 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.511 -0.768 . . . . 75.42 108.946 178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.5 tp -75.19 142.36 43.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.086 0.47 . . . . 72.41 111.23 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.74 156.83 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.698 -0.683 . . . . 72.54 109.601 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.4 t -141.22 -44.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.601 -0.272 . . . . 75.32 110.875 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 66.42 52.62 34.02 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.162 -0.775 . . . . 74.32 111.162 -176.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.03 149.47 30.7 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.844 0.354 . . . . 65.34 111.042 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.872 -0.96 . . . . 64.22 111.243 178.733 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.479 -0.649 . . . . 54.31 111.479 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -47.6 97.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 123.079 2.519 . . . . 55.43 112.613 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.4 178.46 36.28 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.432 -0.667 . . . . 63.2 111.432 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 t 63.37 13.27 6.93 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.33 0.586 . . . . 64.22 110.865 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 49.8 ttp -91.71 40.89 1.05 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.592 0.711 . . . . 62.22 109.265 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -72.66 79.29 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.607 -0.724 . . . . 72.41 110.434 -177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -91.55 94.01 4.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.794 -0.639 . . . . 74.52 109.685 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.1 mtt -81.35 49.9 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 64.41 109.984 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.2 m 72.97 -40.13 0.47 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.386 0.674 . . . . 52.44 110.7 -172.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.479 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 4.8 m-20 -61.11 114.14 2.96 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.732 -0.47 . . . . 71.14 109.732 171.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -104.13 94.89 7.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.648 -0.501 . . . . 72.51 109.648 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 23.7 Cg_exo -62.83 -31.15 78.1 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.52 2.147 . . . . 75.11 112.172 -175.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 34' ' ' PRO . 23.5 m-85 -89.49 5.2 46.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.665 -0.698 . . . . 73.14 110.684 -175.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -107.24 -11.42 15.59 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.898 -0.592 . . . . 64.53 110.054 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.13 144.43 55.37 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.907 -0.588 . . . . 71.14 109.986 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.66 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 14.8 pt-20 -84.21 -21.39 31.23 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 112.739 0.644 . . . . 72.15 112.739 -170.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.75 -23.01 39.71 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.567 0.223 . . . . 74.54 111.58 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.35 136.49 20.33 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.56 -0.829 . . . . 55.12 111.344 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mmm -87.81 127.08 35.33 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.256 -0.646 . . . . 71.05 109.256 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.3 153.7 47.58 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.557 -0.535 . . . . 71.52 109.557 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.59 153.77 24.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.883 0.373 . . . . 73.54 110.851 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 46' ' ' VAL . 58.6 t -105.7 129.1 59.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 N-CA-C 108.891 -0.781 . . . . 75.34 108.891 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.7 mt -112.29 174.12 6.04 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 123.975 0.797 . . . . 73.02 110.498 -175.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 9.7 tt -151.51 145.26 16.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 116.33 -0.395 . . . . 72.04 110.754 178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 27.8 t-20 -106.8 158.88 16.65 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.265 -0.425 . . . . 75.55 109.88 174.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 m-20 -38.62 -44.87 1.02 Allowed 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.862 1.351 . . . . 61.45 112.858 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 23.6 mm-40 -75.58 26.2 0.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 73.21 111.03 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' A' ' 24' ' ' ILE . 44.5 mt-10 52.26 44.51 29.69 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.714 0.769 . . . . 74.33 109.973 -177.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 99.4 mt-30 -91.61 115.62 28.2 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.037 -0.983 . . . . 74.21 109.165 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -88.48 149.53 23.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.994 -0.548 . . . . 74.33 110.596 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -159.46 169.71 23.31 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.608 -0.516 . . . . 53.22 109.608 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.69 132.21 48.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.483 -0.562 . . . . 74.5 109.483 -176.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -135.53 128.4 18.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 63.34 110.055 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HG3' ' CD1' ' A' ' 13' ' ' PHE . 91.4 Cg_endo -83.22 155.9 14.68 Favored 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 122.702 2.268 . . . . 51.42 112.628 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.4 p -59.84 -24.88 64.56 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.873 -0.603 . . . . 70.21 111.445 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.4 ' HD2' ' HB2' ' A' ' 34' ' ' PRO . 29.5 m-85 -70.34 -8.96 54.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.519 -0.764 . . . . 72.31 111.292 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.51 156.65 38.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.67 0.271 . . . . 71.31 110.411 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.27 136.14 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 73.44 110.478 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.0 t -55.28 116.96 12.9 Favored Pre-proline 0 CA--C 1.536 0.427 0 O-C-N 123.368 0.417 . . . . 54.22 110.947 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 131.02 16.96 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.626 2.217 . . . . 75.04 112.727 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.87 128.32 34.5 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.993 -0.549 . . . . 52.4 110.218 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.45 -17.94 30.58 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 111.65 -0.58 . . . . 61.12 111.65 -175.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -115.34 101.47 8.95 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.423 -0.584 . . . . 65.54 109.423 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -84.29 148.46 26.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.293 -176.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.527 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.4 t -76.72 131.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 42.52 110.808 -175.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.0 m -114.49 -29.72 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 121.06 0.457 . . . . 54.42 110.304 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.1 t80 -135.72 116.09 13.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.839 -0.8 . . . . 72.55 108.839 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.33 172.72 9.16 Favored Glycine 0 CA--C 1.52 0.385 0 O-C-N 123.366 0.416 . . . . 73.14 112.788 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -55.21 117.39 3.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.29 0.567 . . . . 63.23 111.32 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.32 166.16 25.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.444 -0.798 . . . . 24.11 110.237 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.3 t -54.91 146.37 17.77 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.809 0.338 . . . . 62.51 111.085 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.66 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 20.5 tpt180 -47.39 -49.04 25.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.584 -0.734 . . . . 61.4 111.734 -176.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.8 75.74 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.533 -0.303 . . . . 62.54 111.599 -176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -66.16 -42.61 88.77 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.201 0.524 . . . . 73.43 110.445 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.42 ' O ' HG23 ' A' ' 59' ' ' VAL . 23.1 m -64.73 -44.22 90.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.657 -0.701 . . . . 64.42 110.255 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 52' ' ' ARG . 85.9 t -63.42 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.09 0 CA-C-N 116.009 -0.542 . . . . 63.11 110.302 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -57.0 -49.47 75.67 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.78 -0.645 . . . . 72.21 110.149 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -62.4 -53.55 53.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.286 -0.87 . . . . 75.13 110.646 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 55' ' ' CYS . 84.8 t -56.9 -38.21 58.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.242 -0.435 . . . . 73.44 111.429 177.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.25 -50.8 64.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.126 0.489 . . . . 75.12 110.747 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -65.38 -12.13 49.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 74.24 110.404 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.5 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 2.8 m-70 -93.01 13.24 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.846 -0.615 . . . . 73.44 111.653 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -55.31 -35.97 65.7 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.72 0.295 . . . . 75.22 110.965 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 p -84.31 -8.28 59.06 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.139 0.495 . . . . 62.45 111.335 178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' ' 62' ' ' HIS . 8.3 t70 -77.68 80.43 4.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.594 . . . . 73.45 110.42 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 53.5 mt -148.8 121.03 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 115.253 -0.885 . . . . 55.33 109.321 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.648 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -74.06 -56.92 2.5 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 111.399 0.148 . . . . 74.24 111.399 -179.151 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 35.6 Cg_endo -91.1 -163.77 0.13 Allowed 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.197 1.931 . . . . 54.14 112.281 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 51.74 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.683 -0.858 . . . . 61.4 108.683 174.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.648 ' HB2' ' HG2' ' A' ' 68' ' ' PRO . 20.7 t -76.87 -63.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.431 -0.804 . . . . 33.04 111.139 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD13 ' H ' ' A' ' 73' ' ' GLU . 2.0 tm? -74.95 95.32 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.514 -0.55 . . . . 51.23 109.514 -175.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -110.1 19.47 18.93 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.414 -0.812 . . . . 54.12 110.413 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' H ' HD13 ' A' ' 71' ' ' LEU . 32.1 mt-10 -98.1 -86.28 0.35 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.609 -0.723 . . . . 70.21 110.135 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 16.1 pttm 57.73 148.64 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.566 1.146 . . . . 75.42 112.429 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -114.19 133.48 55.57 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.58 -0.896 . . . . 72.41 108.58 172.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 77' ' ' SER . . . -65.25 82.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.278 0.361 . . . . 72.54 110.556 -178.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 22.7 t 169.0 -32.61 0.0 OUTLIER 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.402 -0.817 . . . . 75.32 109.233 -177.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.88 -99.39 2.21 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.744 -0.662 . . . . 74.32 111.462 -176.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -81.83 87.15 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 65.34 110.415 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.266 0 CA-C-O 118.95 -0.917 . . . . 64.22 112.135 -178.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 112.216 -0.354 . . . . 54.31 112.216 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 25.3 Cg_exo -63.1 113.77 2.17 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.615 2.21 . . . . 55.43 111.951 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.16 130.08 1.08 Allowed Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 111.732 -0.547 . . . . 63.2 111.732 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.4 m -70.15 -23.76 63.05 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.265 0.555 . . . . 64.22 110.408 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.547 ' N ' ' SD ' ' A' ' 5' ' ' MET . 0.0 OUTLIER -113.16 132.38 55.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.491 -0.777 . . . . 62.22 109.776 178.316 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -65.9 -40.72 91.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.255 0.55 . . . . 72.41 110.144 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.0 tt -99.77 130.67 48.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 74.52 109.663 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 mmt -62.62 95.84 0.08 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.074 0.464 . . . . 64.41 110.325 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 p -67.45 165.1 17.35 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.391 -0.822 . . . . 52.44 110.707 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -62.1 132.05 51.55 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.644 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.582 HD22 ' N ' ' A' ' 11' ' ' ASN . 0.8 OUTLIER -81.86 156.32 70.07 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.617 -0.72 . . . . 72.51 110.352 -174.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.21 -12.73 36.19 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.821 2.348 . . . . 75.11 113.163 -176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -100.54 6.45 44.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.565 0.221 . . . . 73.14 111.255 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -94.95 2.31 55.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.784 0.326 . . . . 64.53 110.41 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -92.52 -176.12 4.2 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.486 0.66 . . . . 71.14 112.319 -172.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -117.98 -22.75 7.73 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.077 -0.965 . . . . 72.15 110.793 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.16 -20.62 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 74.54 110.588 -178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.28 155.97 48.7 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.866 -0.607 . . . . 55.12 111.771 177.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 75.6 mtp -97.45 127.73 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.733 -0.469 . . . . 71.05 109.733 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -130.17 159.45 36.79 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.428 ' HD2' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.02 149.78 28.75 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.396 0.141 . . . . 73.54 110.674 178.73 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.5 t -99.52 125.58 53.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 109.752 -0.462 . . . . 75.34 109.752 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.7 mp -109.94 170.79 7.84 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.996 0.81 . . . . 73.02 110.466 -176.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.554 HD11 ' HA ' ' A' ' 28' ' ' GLU . 7.2 tt -153.61 154.92 6.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-N 116.046 -0.525 . . . . 72.04 110.587 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 29' ' ' GLN . 56.7 t30 -127.41 156.22 42.41 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.771 -0.826 . . . . 75.55 108.771 171.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 28' ' ' GLU . 16.7 t70 -45.52 -28.33 0.91 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.53 0.937 . . . . 61.45 113.53 -166.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HA ' ' HD2' ' A' ' 67' ' ' ARG . 14.2 mp0 -78.01 27.83 0.18 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.272 -0.268 . . . . 73.21 110.661 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.807 ' HG2' ' HB2' ' A' ' 67' ' ' ARG . 34.9 mm-40 47.98 28.61 1.48 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.469 0.652 . . . . 74.33 110.577 -169.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 60.1 tp60 -70.44 115.67 9.89 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.235 -0.893 . . . . 74.21 108.672 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -98.2 133.86 42.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.317 . . . . 74.33 110.863 -173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.3 t -141.22 163.93 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.384 -0.599 . . . . 53.22 109.384 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.89 115.37 12.71 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.288 -0.634 . . . . 74.5 109.288 -178.386 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -113.8 133.83 22.19 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.405 -0.118 . . . . 63.34 110.711 -174.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -79.7 155.54 24.04 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.857 2.372 . . . . 51.42 112.785 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.9 p -61.83 -24.75 67.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 70.21 111.468 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -78.31 4.52 12.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.631 . . . . 72.31 111.877 -177.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.02 153.64 46.89 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.119 -0.326 . . . . 71.31 110.119 178.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.18 152.57 21.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.911 0.386 . . . . 73.44 111.354 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.35 124.79 79.75 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.273 -0.876 . . . . 54.22 111.695 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.44 123.93 11.42 Favored 'Trans proline' 0 C--O 1.243 0.737 0 C-N-CA 122.607 2.205 . . . . 75.04 111.783 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.43 128.24 22.14 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.326 -0.852 . . . . 52.4 111.312 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.89 -28.09 11.88 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.78 -0.646 . . . . 61.12 111.678 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -94.65 131.3 40.58 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.845 -0.428 . . . . 65.54 109.845 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -104.19 136.54 43.6 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 110.073 -0.343 . . . . 75.23 110.073 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.3 125.18 38.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.312 -0.404 . . . . 42.52 110.398 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.4 m -100.29 -36.93 5.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.273 0.558 . . . . 54.42 110.528 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -123.47 121.99 37.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.628 -0.879 . . . . 72.55 108.628 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.29 178.6 6.34 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 121.051 -0.595 . . . . 73.14 112.413 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 49' ' ' GLU . 1.1 pm0 -55.34 120.09 6.56 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.564 0.697 . . . . 63.23 110.86 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.37 166.49 24.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.233 -0.894 . . . . 24.11 109.734 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.37 141.05 58.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.569 . . . . 62.51 109.462 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.4 tmt_? -47.87 -39.21 18.11 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.428 0.455 . . . . 61.4 111.307 -174.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.97 91.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.482 -0.326 . . . . 62.54 111.363 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -69.87 -40.42 75.75 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.627 0.727 . . . . 73.43 109.404 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.485 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 m -57.56 -51.07 70.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.121 -0.945 . . . . 64.42 110.016 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.4 t -63.63 -34.58 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.054 0 CA-C-N 115.844 -0.616 . . . . 63.11 110.388 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.42 -44.32 84.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.118 -0.492 . . . . 72.21 109.782 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -68.52 -54.56 15.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.271 -0.422 . . . . 75.13 110.92 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.8 t -52.86 -38.06 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.851 -177.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.62 -44.16 96.66 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.925 0.393 . . . . 75.12 110.243 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -64.29 -47.61 78.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.821 -0.627 . . . . 74.24 110.402 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -80.41 0.35 33.66 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.628 -0.715 . . . . 73.44 110.877 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -71.22 -24.7 62.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 75.22 110.403 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 m -77.65 -7.93 57.15 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.048 -0.524 . . . . 62.45 111.103 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.07 103.04 11.41 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.043 0.449 . . . . 73.45 111.157 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.6 mt -107.64 109.81 29.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.746 -0.661 . . . . 55.33 109.425 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.807 ' HB2' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -90.68 -49.06 0.36 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.282 -178.236 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 56.0 Cg_endo -69.87 103.52 1.19 Allowed 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.618 1.546 . . . . 54.14 111.795 179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -73.32 82.03 1.38 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.326 0.584 . . . . 61.4 110.47 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 t -167.95 52.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.087 -1.079 . . . . 33.04 108.087 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.5 tp -68.25 92.98 0.43 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.111 -0.95 . . . . 51.23 111.096 -172.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -67.06 -55.48 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.947 -0.569 . . . . 54.12 109.551 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.03 93.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.644 -0.707 . . . . 70.21 109.3 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 137.13 56.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.07 -0.514 . . . . 75.42 111.129 -171.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.553 ' H ' HD23 ' A' ' 75' ' ' LEU . 2.5 pt? -76.07 158.6 31.65 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.991 -0.549 . . . . 72.41 110.502 178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.81 131.39 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 72.54 110.472 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 t -77.21 81.9 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.239 0.543 . . . . 75.32 109.902 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -174.06 150.85 12.1 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.685 -0.689 . . . . 74.32 111.826 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? -151.82 -52.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.689 -0.486 . . . . 65.34 109.689 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.585 -1.119 . . . . 64.22 111.316 -179.688 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.88 -0.488 . . . . 54.31 111.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.77 91.85 0.8 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.67 2.247 . . . . 55.43 113.045 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.69 74.04 0.86 Allowed Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.992 -0.549 . . . . 63.2 113.304 172.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 67.26 -4.18 0.9 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.447 0.536 . . . . 64.22 112.447 174.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 97.5 mmm -94.86 115.93 28.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.753 0.311 . . . . 62.22 110.205 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -143.7 122.09 12.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.491 . . . . 72.41 109.68 177.597 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -90.91 82.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.288 0.566 . . . . 74.52 109.796 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.7 mtp -107.75 5.05 26.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.709 -0.678 . . . . 64.41 110.445 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -99.53 165.39 11.66 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.045 -0.525 . . . . 52.44 110.43 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -92.98 78.65 4.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.711 -0.478 . . . . 71.14 109.711 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -142.08 70.52 23.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.312 -0.404 . . . . 72.51 111.078 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.36 -52.0 0.66 Allowed 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.373 2.049 . . . . 75.11 111.04 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -118.61 -3.05 10.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.439 -0.801 . . . . 73.14 110.318 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.28 -8.52 59.64 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.938 -0.574 . . . . 64.53 111.86 -173.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.36 169.89 16.2 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.442 -0.345 . . . . 71.14 110.663 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -110.22 -35.07 6.19 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.872 0.368 . . . . 72.15 111.348 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -81.58 -22.98 37.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.94 -0.573 . . . . 74.54 110.801 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.59 142.43 47.83 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.629 -0.796 . . . . 55.12 111.414 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 61.1 mmm -88.91 127.25 35.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.437 -0.579 . . . . 71.05 109.437 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.528 ' HB2' HD11 ' A' ' 32' ' ' LEU . 4.0 m-85 -129.89 149.83 51.45 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.418 -0.586 . . . . 71.52 109.418 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.13 146.86 30.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.622 0.249 . . . . 73.54 111.131 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.2 t -98.02 125.72 51.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 109.189 -0.671 . . . . 75.34 109.189 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 45' ' ' VAL . 45.4 mt -108.49 169.35 8.7 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.854 0.721 . . . . 73.02 110.241 -176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.1 tt -148.19 150.97 13.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.076 0.465 . . . . 72.04 111.271 175.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 56.4 t30 -119.71 153.94 34.87 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.333 -0.988 . . . . 75.55 108.333 168.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 28' ' ' GLU . 33.2 m-20 -53.17 -23.42 8.35 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.231 0.826 . . . . 61.45 113.231 -166.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.529 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 1.5 mp0 -75.56 19.96 0.18 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.76 0.314 . . . . 73.21 110.851 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 24' ' ' ILE . 30.3 mt-10 59.48 26.55 15.53 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.406 0.682 . . . . 74.33 110.505 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.575 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 97.6 mt-30 -76.57 115.93 16.78 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 108.17 -1.048 . . . . 74.21 108.17 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -123.68 143.16 50.43 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.185 -0.302 . . . . 74.33 110.185 -173.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.4 t -163.04 172.94 14.23 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 108.771 -0.826 . . . . 53.22 108.771 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 20' ' ' PHE . 40.8 tp -118.59 133.83 55.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.044 -0.525 . . . . 74.5 110.216 -174.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -129.16 130.6 23.39 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.118 -0.492 . . . . 63.34 110.041 -171.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.81 154.1 19.99 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.609 2.206 . . . . 51.42 112.979 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 p -63.62 -20.11 65.41 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.76 -0.655 . . . . 70.21 111.585 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -76.44 -2.32 31.47 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.935 -0.575 . . . . 72.31 111.134 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -125.65 161.8 26.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.621 -0.263 . . . . 71.31 110.538 -178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -96.14 152.6 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 73.44 110.331 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -76.5 124.68 87.97 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.001 -0.545 . . . . 54.22 110.921 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.03 126.45 15.2 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.606 2.204 . . . . 75.04 111.934 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.02 128.49 37.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.753 -0.658 . . . . 52.4 110.633 -177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 -27.99 11.44 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 111.534 -0.626 . . . . 61.12 111.534 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -93.85 129.52 40.23 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.424 -0.584 . . . . 65.54 109.424 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -107.71 141.77 38.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 75.23 110.596 -176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.531 ' HA ' HD23 ' A' ' 23' ' ' LEU . 26.7 t -74.11 115.19 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.824 -0.625 . . . . 42.52 110.294 -178.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.9 m -88.38 -35.4 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.214 0.53 . . . . 54.42 109.645 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -132.7 123.54 26.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.306 -0.861 . . . . 72.55 109.194 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.81 175.52 7.68 Favored Glycine 0 C--N 1.333 0.396 0 O-C-N 123.663 0.602 . . . . 73.14 112.599 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -57.29 111.99 1.25 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.102 0.477 . . . . 63.23 110.858 -178.455 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.34 165.56 25.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.801 -0.636 . . . . 24.11 110.382 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.8 t -59.28 154.52 16.31 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 62.51 111.052 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.52 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.3 tpt180 -47.47 -48.5 26.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.505 -0.77 . . . . 61.4 111.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -48.1 82.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.433 -0.349 . . . . 62.54 111.69 -175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -60.86 -45.59 93.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.131 0.491 . . . . 73.43 110.635 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' HB3' HD13 ' A' ' 32' ' ' LEU . 56.0 m -62.85 -42.97 99.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 64.42 110.832 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 52' ' ' ARG . 73.3 t -62.6 -43.75 98.77 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.038 0 CA-C-N 116.342 -0.39 . . . . 63.11 110.324 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.38 -46.73 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.819 -0.628 . . . . 72.21 110.31 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -62.35 -54.96 32.8 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.504 -0.771 . . . . 75.13 110.474 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.0 t -55.8 -40.48 61.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 115.94 -0.573 . . . . 73.44 111.491 177.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.77 -42.39 97.4 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.317 -175.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 14.3 mm-40 -76.6 -27.67 55.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.45 -177.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -94.23 13.28 23.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.076 0.465 . . . . 73.44 109.96 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -75.79 13.3 0.85 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.043 -0.526 . . . . 75.22 111.097 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.3 p -55.17 168.67 0.31 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.332 -0.394 . . . . 62.45 111.236 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -52.75 126.56 20.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.337 0.589 . . . . 73.45 110.821 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.84 HG22 ' HD2' ' A' ' 68' ' ' PRO . 3.0 mp -97.91 157.09 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.665 -0.698 . . . . 55.33 109.207 -175.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 8.3 mpt_? -77.21 -53.49 1.66 Allowed Pre-proline 0 CA--C 1.54 0.592 0 CA-C-O 119.534 -0.269 . . . . 74.24 111.479 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.84 ' HD2' HG22 ' A' ' 66' ' ' ILE . 38.7 Cg_endo -66.77 144.76 72.75 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 121.976 1.784 . . . . 54.14 111.839 174.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HE2' HD11 ' A' ' 71' ' ' LEU . 22.4 tptm -102.03 22.6 12.84 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.16 0.505 . . . . 61.4 110.792 -176.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 p -71.51 83.12 0.82 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.277 0.561 . . . . 33.04 110.665 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD11 ' HE2' ' A' ' 69' ' ' LYS . 86.3 mt -71.41 90.77 0.98 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.591 -0.731 . . . . 51.23 110.476 -178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -90.99 139.68 30.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.707 -0.679 . . . . 54.12 109.979 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -83.88 134.74 34.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 70.21 111.813 -171.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -175.05 -32.97 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.395 -0.821 . . . . 75.42 109.911 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.7 mt -65.06 -14.52 60.68 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.59 -0.732 . . . . 72.41 110.97 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.99 87.52 0.14 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.548 -0.751 . . . . 72.54 111.911 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.6 m 75.22 -51.65 0.66 Allowed 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.403 0.89 . . . . 75.32 113.403 168.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.38 -36.62 63.57 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.768 -0.253 . . . . 74.32 113.502 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -128.42 105.58 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.781 -0.451 . . . . 65.34 109.781 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.139 0 CA-C-O 118.903 -0.943 . . . . 64.22 111.218 -177.222 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.874 -0.49 . . . . 54.31 111.874 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -93.78 -158.44 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.365 2.71 . . . . 55.43 112.172 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.87 138.77 6.54 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 111.697 -0.561 . . . . 63.2 111.697 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.416 ' OG ' ' HE3' ' A' ' 6' ' ' LYS . 5.9 p -100.49 170.13 8.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.719 0.295 . . . . 64.22 110.712 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.7 mtt -71.04 82.56 0.68 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.088 0.47 . . . . 62.22 110.54 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HE3' ' OG ' ' A' ' 4' ' ' SER . 34.6 mmtp -96.74 130.31 44.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.808 -0.633 . . . . 72.41 109.882 176.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -74.85 146.15 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.333 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.8 ptp -51.11 110.79 0.47 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.17 0.509 . . . . 64.41 110.106 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -163.47 -173.16 3.21 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.643 -0.708 . . . . 52.44 109.783 -174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.78 118.01 8.35 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.392 -0.367 . . . . 71.14 110.217 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -138.75 134.35 17.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.777 -0.453 . . . . 72.51 109.777 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.79 -26.93 59.87 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.802 2.335 . . . . 75.11 112.953 -175.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -80.75 8.89 7.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.963 0.357 . . . . 73.14 111.963 -176.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -112.54 12.89 19.99 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.466 0.651 . . . . 64.53 109.676 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.12 137.94 58.22 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.885 -0.598 . . . . 71.14 111.216 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -57.12 -31.42 65.3 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.85 0.685 . . . . 72.15 112.85 -174.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -81.57 -11.82 59.0 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.425 0.155 . . . . 74.54 111.372 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.98 128.1 9.32 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.684 -0.769 . . . . 55.12 111.776 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 83.1 mtp -72.81 127.6 33.02 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.348 -0.612 . . . . 71.05 109.348 174.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CD1' ' HA ' ' A' ' 34' ' ' PRO . 9.4 m-85 -128.7 161.89 28.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.463 -0.569 . . . . 71.52 109.463 -178.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -110.6 150.82 28.42 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 110.44 -0.207 . . . . 73.54 110.44 177.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' O ' HG22 ' A' ' 46' ' ' VAL . 60.4 t -99.3 126.01 52.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 108.752 -0.833 . . . . 75.34 108.752 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.1 mp -115.75 170.24 8.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.107 0.48 . . . . 73.02 111.004 -175.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 7.5 tt -143.89 136.57 23.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.364 -0.834 . . . . 72.04 110.002 173.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 55.3 t30 -94.42 153.58 17.88 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.649 -0.871 . . . . 75.55 108.649 170.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 28' ' ' GLU . 6.5 m-20 -63.85 -9.24 13.92 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.919 0.762 . . . . 61.45 111.314 -171.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 47.1 mt-10 -80.72 18.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.449 -0.796 . . . . 73.21 109.556 169.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' A' ' 67' ' ' ARG . 57.0 mt-10 59.82 31.16 20.64 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.544 0.738 . . . . 74.33 110.052 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 96.6 mt-30 -92.17 116.22 28.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.545 -0.752 . . . . 74.21 110.008 -176.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -96.49 136.94 36.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.743 -0.465 . . . . 74.33 109.743 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -157.63 -177.83 6.88 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.827 0.346 . . . . 53.22 110.255 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 21' ' ' PHE . 58.3 tp -134.31 125.24 27.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 74.5 109.882 -174.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -119.15 136.38 24.39 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 110.355 -0.239 . . . . 63.34 110.355 -177.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HA ' ' CD1' ' A' ' 20' ' ' PHE . 97.1 Cg_endo -79.21 154.22 24.95 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.788 2.326 . . . . 51.42 113.478 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -61.71 -31.87 72.05 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.356 -0.838 . . . . 70.21 111.121 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.96 -14.73 63.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.436 -0.802 . . . . 72.31 111.948 -175.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.03 157.76 26.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.72 0.295 . . . . 71.31 111.002 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.97 148.8 25.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.863 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.45 124.13 81.52 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.872 -0.604 . . . . 54.22 111.132 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 43' ' ' TRP . 58.0 Cg_endo -72.93 132.01 17.75 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.574 2.183 . . . . 75.04 112.199 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.79 128.19 31.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.96 -0.564 . . . . 52.4 110.992 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.31 -27.99 15.16 Favored Glycine 0 N--CA 1.453 -0.18 0 N-CA-C 111.54 -0.624 . . . . 61.12 111.54 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' HB2' ' HG2' ' A' ' 40' ' ' PRO . 74.9 m95 -96.74 114.13 25.75 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.834 -0.432 . . . . 65.54 109.834 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -99.28 138.21 36.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.175 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.8 t -73.79 125.32 32.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-N 116.29 -0.414 . . . . 42.52 110.705 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.5 m -103.12 -31.85 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.148 0.499 . . . . 54.42 110.197 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -129.47 124.08 33.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.154 -1.054 . . . . 72.55 108.154 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.35 -172.55 8.87 Favored Glycine 0 CA--C 1.518 0.252 0 O-C-N 123.526 0.516 . . . . 73.14 113.107 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -54.94 113.13 1.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.184 -0.302 . . . . 63.23 110.184 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.15 165.43 27.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 24.11 110.744 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 p -66.03 150.51 48.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.831 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.8 tpt180 -47.66 -49.84 26.31 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.165 -0.47 . . . . 61.4 111.592 -175.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.6 73.07 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.827 0.346 . . . . 62.54 111.632 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -59.96 -49.76 76.43 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-O 121.587 0.708 . . . . 73.43 110.33 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.418 ' HB3' HD13 ' A' ' 32' ' ' LEU . 34.9 m -57.76 -45.56 85.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.816 -1.084 . . . . 64.42 110.466 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 52' ' ' ARG . 72.1 t -59.26 -47.95 88.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.461 -0.791 . . . . 63.11 110.763 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.56 -46.67 88.23 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.349 -0.387 . . . . 72.21 110.788 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.15 -55.8 30.26 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.769 0.319 . . . . 75.13 110.39 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.14 -44.85 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.095 -0.502 . . . . 73.44 111.187 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.486 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 32.0 t70 -54.02 -34.68 60.61 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.144 0.497 . . . . 75.12 111.628 -175.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -80.06 -36.02 36.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.909 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -95.3 13.58 25.17 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.391 1.256 . . . . 73.44 114.391 -169.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.486 ' CD1' ' HA ' ' A' ' 60' ' ' ASP . 83.7 m95 -58.02 -20.61 40.02 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 118.132 0.424 . . . . 75.22 111.796 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -36.86 -71.02 0.08 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.196 1.184 . . . . 62.45 114.196 -175.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' H ' HG23 ' A' ' 64' ' ' THR . 27.0 m-20 -93.44 126.53 38.63 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.328 0.492 . . . . 73.45 112.328 -167.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.0 mt -148.22 100.6 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 107.707 -1.22 . . . . 55.33 107.707 171.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.658 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 12.5 tpp180 -55.52 -53.78 58.55 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.646 0.61 . . . . 74.24 112.646 -168.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 75.0 Cg_exo -52.43 -28.01 33.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 122.324 2.016 . . . . 54.14 112.916 176.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? 64.13 103.43 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.303 -0.628 . . . . 61.4 109.303 -175.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 t -138.8 -164.53 1.66 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.321 -0.399 . . . . 33.04 110.411 -174.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.639 ' H ' HD23 ' A' ' 71' ' ' LEU . 2.2 pt? -131.44 154.68 48.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.425 -0.352 . . . . 51.23 110.244 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 11.9 tpt180 -168.88 171.35 8.49 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.885 -0.783 . . . . 54.12 108.885 -178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 1.5 mp0 -54.73 106.84 0.24 Allowed 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 109.63 -0.507 . . . . 70.21 109.63 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HB2' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -70.06 104.78 2.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.091 -0.504 . . . . 75.42 110.203 -178.721 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 77' ' ' SER . 55.4 tp -83.71 144.14 29.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.458 -0.792 . . . . 72.41 110.214 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.78 22.53 3.1 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.442 -0.345 . . . . 72.54 110.792 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.403 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 32.8 t 61.18 98.29 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.724 -0.671 . . . . 75.32 110.27 -173.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.47 65.06 3.15 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 116.156 -0.475 . . . . 74.32 112.321 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -125.39 125.22 43.05 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 122.672 0.389 . . . . 65.34 110.255 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.865 -0.964 . . . . 64.22 111.477 179.189 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.85 0 N-CA-C 112.394 -0.283 . . . . 54.31 112.394 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -87.49 12.78 2.82 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.338 2.692 . . . . 55.43 112.579 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.02 -142.76 9.39 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 111.642 -0.583 . . . . 63.2 111.642 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -133.26 159.85 39.0 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 122.34 0.256 . . . . 64.22 110.447 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.4 mmt -88.87 129.67 35.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 62.22 110.159 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.537 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -157.05 154.47 29.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.389 -0.369 . . . . 72.41 110.368 179.494 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -86.42 107.08 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 74.52 109.976 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.5 ttt -155.6 155.08 32.68 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.491 -0.559 . . . . 64.41 109.491 -177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -69.46 151.22 46.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.782 0.325 . . . . 52.44 110.867 -177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.61 -48.89 73.21 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.866 -0.607 . . . . 71.14 110.523 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -124.64 86.38 55.68 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.697 -0.683 . . . . 72.51 110.67 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -96.46 0.4 1.96 Allowed 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.077 2.518 . . . . 75.11 112.682 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -118.42 14.89 13.81 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.556 -0.293 . . . . 73.14 111.391 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -97.29 12.16 33.97 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.6 0.238 . . . . 64.53 111.626 -173.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' HB3' ' OD1' ' A' ' 17' ' ' ASP . 25.0 m-20 -80.32 132.18 35.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.519 0.199 . . . . 71.14 110.629 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -66.23 -26.23 67.27 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.354 -0.385 . . . . 72.15 111.744 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.452 ' OD1' ' HB3' ' A' ' 15' ' ' ASP . 7.0 p-10 -71.47 -20.35 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.401 . . . . 74.54 110.64 -178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.56 125.62 10.45 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.299 -0.72 . . . . 55.12 111.299 176.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.0 mtp -78.27 128.23 33.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 71.05 109.68 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -124.58 161.9 25.22 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.789 -0.449 . . . . 71.52 109.789 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.442 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -114.94 149.67 36.92 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.218 -0.29 . . . . 73.54 110.218 176.146 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 46' ' ' VAL . 61.9 t -101.67 131.49 49.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.424 -0.584 . . . . 75.34 109.424 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.0 mp -118.02 165.57 13.58 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.444 0.465 . . . . 73.02 110.791 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 5.4 tt -142.7 153.16 17.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.794 -0.639 . . . . 72.04 110.043 174.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.38 147.7 48.05 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.368 -0.975 . . . . 75.55 108.368 172.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.73 -32.5 0.6 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.832 1.049 . . . . 61.45 113.832 -167.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 69' ' ' LYS . 1.6 pm0 -79.79 34.38 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.794 0.33 . . . . 73.21 111.129 176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 53.92 28.27 8.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.807 -0.633 . . . . 74.33 112.108 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.516 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 87.5 mt-30 -83.78 115.97 22.48 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.156 -0.683 . . . . 74.21 109.156 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -109.16 137.33 47.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.085 -0.507 . . . . 74.33 109.792 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.0 t -146.07 -178.32 6.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.112 -0.494 . . . . 53.22 109.689 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -142.29 115.26 8.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.37 -0.604 . . . . 74.5 109.37 -174.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -113.91 134.64 22.08 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.467 -0.333 . . . . 63.34 110.153 -173.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.03 153.24 25.0 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.602 2.202 . . . . 51.42 112.733 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 p -61.45 -21.75 64.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.527 -0.761 . . . . 70.21 111.166 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -82.39 1.54 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.476 -0.784 . . . . 72.31 111.025 -175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.21 155.74 48.78 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.391 -0.368 . . . . 71.31 110.217 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -92.42 149.78 21.2 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.774 0.321 . . . . 73.44 110.604 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.78 129.3 92.92 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.679 -0.691 . . . . 54.22 111.926 -173.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.15 129.31 18.02 Favored 'Trans proline' 0 C--O 1.243 0.748 0 C-N-CA 122.772 2.315 . . . . 75.04 112.028 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.04 128.09 20.65 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.619 -0.719 . . . . 52.4 111.334 -177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.28 -28.56 15.36 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.733 -0.667 . . . . 61.12 112.16 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -88.0 124.65 33.95 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.973 -0.38 . . . . 65.54 109.973 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -101.33 132.89 46.66 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.692 0.282 . . . . 75.23 110.54 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 21' ' ' PHE . 64.7 t -74.31 113.45 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.052 -0.522 . . . . 42.52 110.623 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -88.16 -37.35 10.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 54.42 110.241 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.406 ' HB3' ' HB ' ' A' ' 22' ' ' VAL . 1.5 t80 -124.65 117.05 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.981 -0.748 . . . . 72.55 108.981 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.71 174.99 6.42 Favored Glycine 0 C--N 1.333 0.399 0 O-C-N 123.557 0.536 . . . . 73.14 112.5 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 122.11 10.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.474 0.654 . . . . 63.23 111.375 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.2 166.9 25.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 24.11 110.504 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.8 t -58.09 138.26 56.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 62.51 110.532 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -47.92 -49.45 30.04 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.801 -0.636 . . . . 61.4 111.883 -173.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.86 -46.34 90.97 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.624 0.25 . . . . 62.54 111.071 -176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -60.22 -40.19 89.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.332 -0.395 . . . . 73.43 110.414 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.403 ' HB3' HD21 ' A' ' 32' ' ' LEU . 60.2 m -61.82 -49.18 77.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.034 -0.53 . . . . 64.42 110.797 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 52' ' ' ARG . 90.5 t -62.1 -41.87 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.98 -0.555 . . . . 63.11 110.61 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -67.2 -31.65 72.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 72.21 110.426 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -64.24 -50.31 68.49 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 175.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.4 -41.81 79.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.96 -0.564 . . . . 73.44 110.621 175.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 63' ' ' TRP . 4.7 t70 -51.33 -43.07 61.64 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.727 -0.67 . . . . 75.12 111.857 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -72.07 -34.55 68.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.141 0.496 . . . . 74.24 110.716 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -94.85 14.22 22.18 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.597 -0.729 . . . . 73.44 110.927 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.41 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 48.5 t-105 -50.24 -27.42 6.0 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.843 0.857 . . . . 75.22 112.842 -173.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 t -71.25 147.8 47.83 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.188 0.518 . . . . 62.45 111.657 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -144.89 157.22 44.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.95 -0.568 . . . . 73.45 109.594 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.2 mt -94.96 -27.23 4.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 121.291 0.567 . . . . 55.33 110.722 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.542 ' N ' ' HD3' ' A' ' 68' ' ' PRO . 11.6 tpp85 57.57 46.27 1.88 Allowed Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 114.729 -1.123 . . . . 74.24 111.47 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 67' ' ' ARG . 55.7 Cg_endo -91.06 -0.02 4.87 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.362 2.042 . . . . 54.14 112.783 -174.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 27' ' ' GLU . 5.4 tppp? -165.86 144.53 5.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.876 -0.416 . . . . 61.4 109.876 -176.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.565 ' HB2' ' O ' ' A' ' 69' ' ' LYS . 26.1 t 164.28 153.37 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.888 0.743 . . . . 33.04 110.042 169.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 71' ' ' LEU . 3.1 mm? -104.46 -9.99 18.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.987 -0.551 . . . . 51.23 110.089 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -164.47 97.84 0.79 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.257 -0.429 . . . . 54.12 110.7 -177.248 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.35 77.81 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.299 0.571 . . . . 70.21 110.039 174.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.539 ' HB3' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.64 -42.24 91.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.733 -0.667 . . . . 75.42 109.55 179.748 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 74' ' ' LYS . 6.5 mp -93.32 131.85 38.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.586 -0.733 . . . . 72.41 110.191 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.44 113.03 19.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.906 -0.588 . . . . 72.54 109.89 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.9 m -65.36 95.88 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.032 0.444 . . . . 75.32 110.601 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -155.83 116.67 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.615 -0.994 . . . . 74.32 110.615 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.72 86.96 0.68 Allowed 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.374 -0.602 . . . . 65.34 109.374 -177.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.528 -1.151 . . . . 64.22 111.27 -178.375 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 CA-C-O 119.537 -0.59 . . . . 54.31 111.783 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.41 106.75 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.866 2.378 . . . . 55.43 112.153 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.72 95.38 0.05 OUTLIER Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.884 -0.598 . . . . 63.2 112.58 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 m -77.59 91.0 3.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.836 -0.431 . . . . 64.22 109.836 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.9 ttt -126.77 124.38 39.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.896 -0.593 . . . . 62.22 110.388 -176.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 37.9 mmtm -135.51 141.13 45.22 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.96 -0.385 . . . . 72.41 109.96 176.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.58 132.11 69.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.061 0.458 . . . . 74.52 111.464 -174.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.4 ttm -76.28 89.53 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 64.41 109.606 174.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -146.52 162.58 38.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.687 -0.688 . . . . 52.44 110.222 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.22 83.11 0.08 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.163 0.506 . . . . 71.14 109.659 175.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.523 HD22 ' H ' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -87.09 156.45 54.72 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.23 -0.895 . . . . 72.51 110.812 -177.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -65.84 -16.61 53.62 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.501 2.134 . . . . 75.11 111.723 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' HB2' ' OD1' ' A' ' 11' ' ' ASN . 31.5 m-85 -74.63 2.0 10.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 73.14 110.725 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HA ' ' NH2' ' A' ' 52' ' ' ARG . 75.8 m-20 -86.09 9.08 18.34 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.216 -0.447 . . . . 64.53 110.507 172.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -56.18 154.9 7.26 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.991 -0.549 . . . . 71.14 111.061 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -102.01 -36.11 8.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.94 -0.573 . . . . 72.15 111.212 -174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -91.79 -21.94 20.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.842 -0.617 . . . . 74.54 111.306 -171.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.91 144.12 46.13 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.682 -0.77 . . . . 55.12 111.592 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mmm -89.36 127.42 35.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.424 -0.584 . . . . 71.05 109.424 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -131.29 154.78 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.082 -0.71 . . . . 71.52 109.082 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -107.09 157.36 17.9 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.846 0.355 . . . . 73.54 111.307 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 59' ' ' VAL . 84.5 t -105.58 128.17 59.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 108.925 -0.769 . . . . 75.34 108.925 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 45' ' ' VAL . 47.0 mt -110.63 173.83 6.15 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.946 0.778 . . . . 73.02 110.554 -176.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.552 ' HA ' ' O ' ' A' ' 29' ' ' GLN . 6.7 tt -147.74 147.3 17.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.287 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 60.6 t30 -115.0 155.48 26.87 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.407 -0.96 . . . . 75.55 108.407 167.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 28' ' ' GLU . 26.6 t70 -53.2 -16.45 1.23 Allowed 'General case' 0 N--CA 1.472 0.628 0 O-C-N 123.998 0.811 . . . . 61.45 111.463 -174.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 29' ' ' GLN . 32.6 mt-10 -75.26 19.98 0.16 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.643 174.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.519 ' HG2' ' HD3' ' A' ' 67' ' ' ARG . 10.2 mm-40 52.96 26.03 4.42 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.299 0.571 . . . . 74.33 110.337 -170.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.552 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 6.5 mm-40 -76.69 116.21 17.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 74.21 111.004 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' H ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -85.14 137.97 32.69 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.237 -0.892 . . . . 74.33 109.878 176.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -155.56 162.42 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.854 0.359 . . . . 53.22 110.083 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -129.31 128.61 43.53 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.78 -0.822 . . . . 74.5 108.78 -177.023 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -130.22 129.74 22.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.758 -0.201 . . . . 63.34 110.634 -172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.13 154.65 22.3 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.363 2.042 . . . . 51.42 112.639 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 p -63.79 -11.38 26.35 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.725 -0.671 . . . . 70.21 111.874 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -80.1 -3.44 48.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.369 -0.378 . . . . 72.31 111.413 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.83 165.81 25.07 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.689 0.28 . . . . 71.31 110.907 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.83 152.5 20.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.56 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.81 119.87 76.78 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.237 -0.438 . . . . 54.22 110.342 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.36 132.18 28.64 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.625 2.217 . . . . 75.04 112.682 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.08 128.73 35.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.844 -0.617 . . . . 52.4 110.915 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.96 -28.07 11.03 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 111.13 -0.788 . . . . 61.12 111.13 -175.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -101.57 143.53 31.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.927 -0.768 . . . . 65.54 108.927 175.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -121.15 151.92 39.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.097 -0.335 . . . . 75.23 110.097 176.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.547 ' HA ' HD23 ' A' ' 23' ' ' LEU . 42.5 t -76.03 127.2 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.985 -0.552 . . . . 42.52 109.777 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.2 m -105.15 -34.43 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.707 -0.479 . . . . 54.42 109.707 176.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -127.85 128.29 44.95 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.45 -0.944 . . . . 72.55 108.45 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.68 173.76 25.64 Favored Glycine 0 C--N 1.33 0.242 0 O-C-N 123.505 0.503 . . . . 73.14 112.85 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.59 110.93 0.97 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.327 0.584 . . . . 63.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -139.79 166.78 23.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.286 -0.87 . . . . 24.11 110.781 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.0 t -53.35 154.37 3.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.37 0.605 . . . . 62.51 111.881 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.5 tpt180 -50.33 -52.4 37.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.31 -0.859 . . . . 61.4 111.737 -177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.85 75.98 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.996 0.369 . . . . 62.54 111.996 -172.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.1 m -57.23 -47.45 81.31 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 121.552 0.691 . . . . 73.43 110.154 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.502 ' O ' HG23 ' A' ' 59' ' ' VAL . 79.2 m -59.97 -49.28 78.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.015 -0.993 . . . . 64.42 111.16 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 52' ' ' ARG . 76.1 t -58.9 -40.58 80.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-O 121.038 0.447 . . . . 63.11 110.609 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -63.03 -45.47 92.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.548 -0.751 . . . . 72.21 110.739 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -67.36 -39.09 85.68 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.93 0.395 . . . . 75.13 110.424 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG22 HG13 ' A' ' 22' ' ' VAL . 81.0 t -60.36 -39.12 79.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.291 -0.413 . . . . 73.44 110.244 175.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.57 -62.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.879 -0.601 . . . . 75.12 110.909 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -55.14 -23.54 21.69 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.633 0.605 . . . . 74.24 112.633 -173.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -80.51 13.23 2.58 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.728 0.299 . . . . 73.44 111.224 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -73.19 -17.05 61.41 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 122.318 -0.239 . . . . 75.22 110.947 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.1 p -19.83 -69.49 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.553 1.158 . . . . 62.45 113.743 -172.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -160.77 129.5 4.68 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.144 0.497 . . . . 73.45 110.016 177.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.621 HD11 ' HB3' ' A' ' 70' ' ' SER . 0.7 OUTLIER -91.81 142.73 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.766 -0.652 . . . . 55.33 110.585 -179.68 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.551 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 46.8 mtp85 -65.35 -41.55 52.02 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.089 -0.505 . . . . 74.24 111.584 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 67' ' ' ARG . 59.3 Cg_endo -71.88 166.41 29.62 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.712 1.608 . . . . 54.14 110.948 169.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 4.2 mptp? -73.37 140.6 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.965 0.412 . . . . 61.4 110.472 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.621 ' HB3' HD11 ' A' ' 66' ' ' ILE . 7.2 p -74.36 153.88 39.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.867 -0.606 . . . . 33.04 112.335 -171.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.29 143.46 31.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.501 -0.772 . . . . 51.23 109.363 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -87.04 93.27 9.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.321 0.581 . . . . 54.12 111.075 -173.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -143.06 148.51 36.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.301 -0.863 . . . . 70.21 108.81 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.716 ' HG3' HD22 ' A' ' 75' ' ' LEU . 21.4 pttp -128.5 -12.42 4.97 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.613 0.244 . . . . 75.42 111.613 -178.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.716 HD22 ' HG3' ' A' ' 74' ' ' LYS . 3.3 mm? -117.5 -83.4 0.64 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.349 -0.611 . . . . 72.41 109.349 172.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 166.48 -39.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.655 -1.239 . . . . 72.54 107.655 -176.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.6 t -159.01 -168.46 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.018 -1.446 . . . . 75.32 108.015 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.07 -55.76 0.5 Allowed Glycine 0 CA--C 1.512 -0.135 0 N-CA-C 110.168 -1.173 . . . . 74.32 110.168 171.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -147.12 -40.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.226 -1.027 . . . . 65.34 108.226 171.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.782 -1.01 . . . . 64.22 110.963 176.056 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 112.024 -0.43 . . . . 54.31 112.024 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -68.27 92.97 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.38 2.054 . . . . 55.43 111.94 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 163.98 -157.41 29.67 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.713 -0.676 . . . . 63.2 111.484 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.3 m -94.87 98.85 11.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.422 . . . . 64.22 110.738 178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 84.5 mtp -99.62 161.69 13.46 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.538 -0.541 . . . . 62.22 109.538 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -80.45 142.14 34.57 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.367 -0.605 . . . . 72.41 109.367 179.701 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.6 pt -53.83 134.35 16.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 O-C-N 123.469 0.481 . . . . 74.52 111.435 -176.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.0 mtt -90.88 76.24 6.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.914 -0.584 . . . . 64.41 109.62 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -75.19 -33.16 61.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.864 -0.607 . . . . 52.44 109.551 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -72.05 91.45 1.24 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.273 -0.64 . . . . 71.14 109.273 175.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -140.34 148.86 55.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.657 -0.247 . . . . 72.51 110.866 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -88.82 7.55 4.26 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.872 2.381 . . . . 75.11 112.28 175.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.14 -20.49 34.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.131 -0.486 . . . . 73.14 110.554 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.71 16.28 25.45 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.539 0.685 . . . . 64.53 109.293 174.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.21 164.24 15.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.881 -0.6 . . . . 71.14 110.938 -177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -83.47 -25.11 31.45 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.913 -0.585 . . . . 72.15 112.373 -174.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -82.75 -23.61 33.89 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.08 0.4 . . . . 74.54 112.08 -172.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.11 146.48 30.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.922 -0.656 . . . . 55.12 112.595 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' THR . 69.3 mtp -102.45 127.62 49.41 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.921 -0.77 . . . . 71.05 108.921 174.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HD22 ' A' ' 32' ' ' LEU . 3.2 m-85 -131.74 159.12 39.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.866 -0.42 . . . . 71.52 109.866 -176.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -107.7 151.51 25.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.731 0.301 . . . . 73.54 110.892 177.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.5 t -100.54 126.95 54.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 N-CA-C 109.105 -0.702 . . . . 75.34 109.105 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 45' ' ' VAL . 62.4 mt -113.92 168.21 9.99 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.639 0.587 . . . . 73.02 110.194 -176.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 28' ' ' GLU . 11.9 tt -143.02 131.22 19.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.301 174.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.574 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 59.1 t30 -92.53 154.69 18.29 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.862 -0.792 . . . . 75.55 108.862 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 28' ' ' GLU . 4.3 t70 -53.89 -26.62 25.91 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.958 0.786 . . . . 61.45 112.581 -166.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HB2' ' HG3' ' A' ' 29' ' ' GLN . 2.0 mp0 -77.96 30.53 0.17 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 120.588 0.232 . . . . 73.21 110.618 174.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' A' ' 24' ' ' ILE . 29.4 mm-40 53.07 29.73 8.53 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.129 0.572 . . . . 74.33 111.677 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 90.5 mt-30 -82.44 115.52 21.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.293 -0.632 . . . . 74.21 109.293 -178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.557 ' NE2' ' HA ' ' A' ' 63' ' ' TRP . 4.6 p-80 -103.4 131.98 50.04 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.11 -0.495 . . . . 74.33 109.773 -175.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 t -155.11 -177.79 6.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 109.014 -0.736 . . . . 53.22 109.014 -172.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.0 135.85 45.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.989 -0.551 . . . . 74.5 109.77 -169.069 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -133.05 131.48 21.87 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.537 -0.302 . . . . 63.34 110.261 -172.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.06 155.7 26.14 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.599 2.2 . . . . 51.42 112.886 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 19' ' ' MET . 17.8 p -59.91 -25.53 65.19 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.607 -0.724 . . . . 70.21 111.675 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -73.68 -11.04 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.502 -0.772 . . . . 72.31 111.739 -174.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -119.1 156.57 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.349 . . . . 71.31 111.259 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.49 152.63 21.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.972 -0.558 . . . . 73.44 110.347 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -70.63 117.22 53.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.879 -0.601 . . . . 54.22 111.066 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.63 132.1 22.82 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.537 2.158 . . . . 75.04 111.838 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.83 128.08 34.91 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.034 -0.53 . . . . 52.4 110.695 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.9 -28.36 12.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.756 -0.656 . . . . 61.12 111.564 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -97.45 97.29 8.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.672 -0.492 . . . . 65.54 109.672 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -87.06 143.08 27.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.807 -0.633 . . . . 75.23 110.583 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.511 ' HA ' HD23 ' A' ' 23' ' ' LEU . 39.6 t -71.85 129.24 35.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.887 -0.597 . . . . 42.52 110.875 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 22' ' ' VAL . 2.7 m -106.8 -35.04 2.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 121.158 0.504 . . . . 54.42 109.782 175.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -134.3 132.77 39.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.683 -0.858 . . . . 72.55 108.683 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 177.96 43.42 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.021 -0.609 . . . . 73.14 112.615 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.42 117.5 3.62 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.855 0.359 . . . . 63.23 110.975 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -147.14 166.77 25.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 24.11 110.337 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.2 p -54.14 137.49 40.33 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.267 0.354 . . . . 62.51 111.011 176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -44.02 43.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.427 -0.806 . . . . 61.4 111.768 -172.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.71 95.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.707 0.289 . . . . 62.54 111.51 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.0 m -65.35 -42.36 92.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.393 0.616 . . . . 73.43 109.641 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.5 m -56.76 -51.82 67.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.041 -0.981 . . . . 64.42 110.501 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.2 -39.37 82.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 116.005 -0.543 . . . . 63.11 110.71 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -58.04 -47.4 83.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.954 -0.566 . . . . 72.21 109.964 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -66.29 -46.05 78.3 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.05 -0.523 . . . . 75.13 110.598 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 55' ' ' CYS . 98.6 t -53.68 -40.56 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.721 176.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -60.7 -47.42 86.34 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.282 -0.417 . . . . 75.12 110.633 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -63.11 -38.7 92.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.107 0.479 . . . . 74.24 110.886 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -94.3 13.41 23.61 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.051 -0.522 . . . . 73.44 111.221 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.557 ' HA ' ' NE2' ' A' ' 30' ' ' HIS . 90.7 t90 -71.94 -34.35 68.96 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.588 -0.523 . . . . 75.22 109.588 174.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.7 m -69.93 142.63 52.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.145 -0.934 . . . . 62.45 111.114 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.5 t70 70.14 106.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.871 0.732 . . . . 73.45 111.78 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.89 HG22 ' HD2' ' A' ' 68' ' ' PRO . 35.3 mt -125.77 146.65 31.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.132 -0.692 . . . . 55.33 109.132 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.656 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 16.3 tpp180 -65.03 -59.87 9.2 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 111.87 0.322 . . . . 74.24 111.87 -172.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.89 ' HD2' HG22 ' A' ' 66' ' ' ILE . 83.6 Cg_endo -78.45 -177.77 4.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 121.904 1.736 . . . . 54.14 112.137 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -92.09 16.31 11.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.095 0.474 . . . . 61.4 110.146 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.9 m -73.3 108.8 6.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.824 -0.626 . . . . 33.04 111.279 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -110.52 140.85 44.41 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.216 -0.447 . . . . 51.23 110.153 177.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -120.27 133.41 55.47 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.265 -0.425 . . . . 54.12 110.318 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.74 118.59 9.17 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.196 -0.456 . . . . 70.21 109.903 177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -81.38 74.6 8.37 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.061 -0.718 . . . . 75.42 109.061 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -85.46 -69.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.377 -0.829 . . . . 72.41 109.057 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.09 131.12 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.857 -0.61 . . . . 72.54 110.06 177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.5 p -76.91 -74.81 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.962 0.41 . . . . 75.32 110.588 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 166.08 79.95 0.04 OUTLIER Glycine 0 C--N 1.331 0.293 0 N-CA-C 111.589 -0.604 . . . . 74.32 111.589 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -168.67 169.32 10.21 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.413 0.285 . . . . 65.34 110.28 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.66 -1.078 . . . . 64.22 111.588 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 CA-C-O 119.938 -0.368 . . . . 54.31 112.403 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.22 113.55 1.81 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.539 2.16 . . . . 55.43 111.698 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.91 -53.16 4.32 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 121.173 -0.537 . . . . 63.2 111.882 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m -62.06 -5.83 2.5 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.679 0.392 . . . . 64.22 111.816 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.0 ptp -59.51 -28.64 67.24 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.81 0.338 . . . . 62.22 110.877 175.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -80.71 85.31 6.09 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.804 -0.443 . . . . 72.41 109.804 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.5 pt -106.47 177.96 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 115.877 -0.601 . . . . 74.52 110.779 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.572 ' SD ' HD13 ' A' ' 75' ' ' LEU . 23.9 mmt -80.56 77.19 7.39 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.496 -0.557 . . . . 64.41 109.496 177.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -58.63 -48.13 82.04 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 52.44 110.235 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -148.82 129.77 14.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.732 -0.667 . . . . 71.14 109.51 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -111.64 83.06 4.17 Favored Pre-proline 0 N--CA 1.466 0.37 0 N-CA-C 109.657 -0.497 . . . . 72.51 109.657 174.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -83.71 -16.66 6.51 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.643 2.228 . . . . 75.11 112.499 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -77.24 -1.17 28.25 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.982 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -87.48 -17.38 32.29 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.138 -0.483 . . . . 64.53 110.114 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -68.43 157.98 34.65 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.814 -0.63 . . . . 71.14 110.329 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -112.85 -19.55 11.93 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.836 0.31 . . . . 72.15 111.836 -175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.61 -17.32 30.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.463 -175.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.39 162.2 41.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.058 -0.591 . . . . 55.12 112.019 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.3 mtp -105.53 127.73 53.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 6.6 m-85 -128.84 157.4 41.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.663 -0.495 . . . . 71.52 109.663 -176.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HD1' ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -110.84 154.29 24.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.717 0.294 . . . . 73.54 111.056 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 46' ' ' VAL . 47.4 t -107.77 122.32 61.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 108.683 -0.858 . . . . 75.34 108.683 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' CD2' HG22 ' A' ' 45' ' ' VAL . 35.3 mt -100.01 174.76 6.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.361 -0.836 . . . . 73.02 110.236 -176.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' A' ' 28' ' ' GLU . 8.4 tt -153.21 144.48 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 72.04 110.819 173.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -102.72 147.07 27.29 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.98 -1.489 . . . . 75.55 106.98 166.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.05 -8.31 3.23 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 124.025 0.828 . . . . 61.45 112.07 -166.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.649 ' HG3' ' HG3' ' A' ' 29' ' ' GLN . 11.6 pt-20 -87.28 26.12 1.27 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.783 -0.644 . . . . 73.21 109.871 169.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.546 ' HA ' HD11 ' A' ' 24' ' ' ILE . 49.0 mt-10 62.93 23.35 13.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.119 -0.946 . . . . 74.33 111.586 176.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.712 ' HG2' ' HG ' ' A' ' 71' ' ' LEU . 16.9 mt-30 -85.88 116.3 24.04 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 120.286 -0.565 . . . . 74.21 110.089 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -98.34 155.25 17.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.27 -0.423 . . . . 74.33 109.955 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.0 t -160.11 147.85 16.6 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.948 -0.76 . . . . 53.22 108.948 -175.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.59 117.54 34.43 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.567 -0.531 . . . . 74.5 109.567 -179.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -120.89 135.36 24.71 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.183 -0.462 . . . . 63.34 110.275 -173.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.743 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 62.2 Cg_endo -87.63 155.17 7.63 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.612 2.208 . . . . 51.42 113.011 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 p -58.42 -24.64 60.67 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.828 -0.623 . . . . 70.21 111.694 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -68.34 -24.38 64.81 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.719 -0.673 . . . . 72.31 112.133 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.09 160.66 17.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.618 0.247 . . . . 71.31 111.284 -174.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.88 145.21 25.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.483 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.45 132.28 87.72 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.092 -0.504 . . . . 54.22 111.432 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.35 123.63 10.43 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.535 2.157 . . . . 75.04 112.146 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.49 128.26 22.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.644 -0.707 . . . . 52.4 110.942 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.79 -26.14 15.04 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 116.038 -0.528 . . . . 61.12 111.793 -178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -97.55 125.36 42.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.657 -0.497 . . . . 65.54 109.657 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -100.43 143.03 31.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.412 -0.218 . . . . 75.23 110.412 -177.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG22 ' CD2' ' A' ' 23' ' ' LEU . 60.5 t -72.03 116.05 13.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 110.072 -0.344 . . . . 42.52 110.072 176.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -92.3 -38.38 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.25 0.548 . . . . 54.42 109.588 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 118.45 28.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.239 -1.023 . . . . 72.55 108.239 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.02 171.11 10.14 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.077 -0.582 . . . . 73.14 112.398 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HB3' ' HD1' ' A' ' 21' ' ' PHE . 8.6 pt-20 -55.4 111.47 0.89 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.349 0.595 . . . . 63.23 110.159 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.14 167.41 21.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.134 -0.939 . . . . 24.11 110.489 -174.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.4 p -51.09 137.88 20.94 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.989 -0.55 . . . . 62.51 111.092 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.5 tpt85 -47.69 -43.17 26.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.634 -0.712 . . . . 61.4 112.3 -174.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.31 84.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 62.54 111.644 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 m -59.1 -46.98 86.9 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.407 0.622 . . . . 73.43 110.363 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . 24.2 m -59.62 -47.09 86.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.025 -0.989 . . . . 64.42 110.551 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 52' ' ' ARG . 81.5 t -58.74 -42.6 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.132 0 CA-C-N 116.315 -0.402 . . . . 63.11 110.597 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -60.05 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 72.21 110.474 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.59 ' O ' ' HG2' ' A' ' 61' ' ' GLN . 43.8 t80 -67.56 -39.71 84.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.929 0.395 . . . . 75.13 110.936 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' CYS . 91.6 t -65.52 -39.01 83.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.527 -0.306 . . . . 73.44 111.394 174.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.61 -35.66 81.25 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.603 0.239 . . . . 75.12 111.498 -173.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 58' ' ' TYR . 13.9 pt20 -67.01 -1.59 4.31 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.745 0.276 . . . . 74.24 111.745 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -62.21 0.22 0.46 Allowed 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.431 0.16 . . . . 73.44 111.431 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -56.9 -20.0 20.87 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.068 0.461 . . . . 75.22 109.949 172.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.8 m -48.22 138.41 9.7 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.482 -0.781 . . . . 62.45 110.196 172.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -57.9 106.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 73.45 111.432 -175.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.656 HG22 ' HD2' ' A' ' 68' ' ' PRO . 34.7 mm -85.11 132.04 32.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.847 -0.615 . . . . 55.33 109.359 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.509 ' N ' ' HD2' ' A' ' 68' ' ' PRO . 26.2 mtm180 -65.63 -48.67 64.14 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 113.175 0.806 . . . . 74.24 113.175 -168.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.656 ' HD2' HG22 ' A' ' 66' ' ' ILE . 45.9 Cg_endo -65.37 -6.28 13.1 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.307 2.005 . . . . 54.14 112.706 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 69.65 -69.7 0.16 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.461 0.704 . . . . 61.4 111.286 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.9 m -75.65 88.01 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.969 0.414 . . . . 33.04 111.106 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.712 ' HG ' ' HG2' ' A' ' 29' ' ' GLN . 6.1 tt -83.57 108.08 16.45 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.913 -0.773 . . . . 51.23 108.913 176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -118.39 127.99 54.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.257 0.551 . . . . 54.12 110.799 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -98.89 166.26 11.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.237 -0.892 . . . . 70.21 110.634 -172.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -103.17 176.78 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 75.42 109.801 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.572 HD13 ' SD ' ' A' ' 8' ' ' MET . 55.9 tp -79.92 125.12 29.33 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.368 0.604 . . . . 72.41 109.53 173.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.743 ' HB1' ' HD3' ' A' ' 34' ' ' PRO . . . -90.76 72.18 6.66 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.887 -1.051 . . . . 72.54 110.67 -175.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.7 t -167.94 166.26 13.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.77 -0.65 . . . . 75.32 110.264 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -162.01 -166.22 20.38 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.265 -0.734 . . . . 74.32 111.265 -178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -123.13 146.81 47.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.24 -0.281 . . . . 65.34 110.24 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 119.078 -0.845 . . . . 64.22 111.383 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.467 -0.653 . . . . 54.31 111.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -71.44 103.42 1.42 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.843 2.362 . . . . 55.43 111.771 -177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 156.37 152.95 6.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.206 -0.521 . . . . 63.2 111.898 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m -79.9 119.94 23.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.202 -0.295 . . . . 64.22 110.202 178.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.2 ttt -74.53 81.36 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.221 0.534 . . . . 62.22 109.772 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -115.03 108.12 16.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.889 -0.596 . . . . 72.41 110.103 -177.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -136.89 174.62 11.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.745 -0.661 . . . . 74.52 109.961 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mtt -81.21 100.88 9.36 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.122 -0.325 . . . . 64.41 110.122 176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -80.36 119.02 22.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.493 . . . . 52.44 110.213 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 19.3 m-20 -73.96 155.5 38.58 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.689 -0.486 . . . . 71.14 109.689 176.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.92 107.63 1.23 Allowed Pre-proline 0 CA--C 1.536 0.436 0 O-C-N 123.369 0.418 . . . . 72.51 111.051 -174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 10' ' ' ASP . 92.5 Cg_endo -79.46 -23.13 7.54 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.392 2.062 . . . . 75.11 111.614 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -90.69 8.05 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.567 -0.742 . . . . 73.14 110.811 -177.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -84.49 -12.79 53.58 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.25 0.548 . . . . 64.53 110.307 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -75.31 164.97 25.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.669 -0.696 . . . . 71.14 110.651 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.09 -16.25 9.81 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.625 -0.261 . . . . 72.15 111.654 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.14 -22.74 38.8 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.865 0.364 . . . . 74.54 110.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.99 146.01 35.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.074 -0.584 . . . . 55.12 111.644 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.6 mmm -91.1 127.36 36.49 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.139 -0.689 . . . . 71.05 109.139 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -126.91 149.66 49.69 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.777 -0.453 . . . . 71.52 109.777 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.28 153.58 19.85 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.944 0.402 . . . . 73.54 111.278 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 59' ' ' VAL . 58.8 t -103.78 127.93 57.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 109.183 -0.673 . . . . 75.34 109.183 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 45' ' ' VAL . 38.6 mt -114.12 170.13 8.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.641 -0.709 . . . . 73.02 110.214 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 28' ' ' GLU . 6.4 tt -151.02 144.81 16.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 120.965 0.412 . . . . 72.04 110.858 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 52.9 t30 -98.05 151.93 19.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.094 -1.076 . . . . 75.55 108.094 166.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 28' ' ' GLU . 17.5 t70 -63.33 -14.5 50.6 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.776 0.673 . . . . 61.45 110.494 -169.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.544 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 44.0 mt-10 -78.3 25.13 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.246 -0.888 . . . . 73.21 110.441 173.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.513 ' HA ' HD11 ' A' ' 24' ' ' ILE . 57.5 mm-40 53.42 37.96 26.8 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.254 0.622 . . . . 74.33 111.661 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 96.7 mt-30 -98.11 115.86 29.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.134 -178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -88.49 146.82 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 74.33 110.781 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.9 t -153.47 169.65 22.65 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 110.116 -0.328 . . . . 53.22 110.116 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -135.83 131.26 35.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.053 -0.721 . . . . 74.5 109.053 -176.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -134.45 135.89 24.68 Favored Pre-proline 0 CA--C 1.535 0.399 0 O-C-N 123.092 0.245 . . . . 63.34 110.425 -172.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -83.23 154.79 14.45 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.873 2.382 . . . . 51.42 112.9 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -60.96 -21.11 63.17 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.636 -0.711 . . . . 70.21 111.678 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -75.81 4.46 7.97 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.909 -0.587 . . . . 72.31 111.868 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -140.7 169.08 18.3 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.687 0.28 . . . . 71.31 111.145 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.37 147.43 23.82 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.355 -0.384 . . . . 73.44 109.999 178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.68 122.26 73.01 Favored Pre-proline 0 CA--C 1.534 0.358 0 O-C-N 123.449 0.468 . . . . 54.22 110.623 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.65 134.22 40.03 Favored 'Trans proline' 0 C--O 1.241 0.627 0 C-N-CA 122.428 2.086 . . . . 75.04 112.703 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.13 128.8 28.97 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.701 -0.681 . . . . 52.4 110.973 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.89 -28.44 14.79 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.885 -0.598 . . . . 61.12 111.825 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -94.9 125.77 39.78 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.655 -0.498 . . . . 65.54 109.655 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -103.4 145.35 30.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 75.23 110.658 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.54 ' HA ' HD23 ' A' ' 23' ' ' LEU . 29.8 t -76.68 122.24 30.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.835 -0.62 . . . . 42.52 110.656 -177.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 22' ' ' VAL . 3.1 m -100.62 -31.75 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.187 0.517 . . . . 54.42 110.042 177.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.11 131.7 35.11 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.796 -0.816 . . . . 72.55 108.796 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.02 179.72 13.17 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.142 -0.551 . . . . 73.14 112.301 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.22 110.62 1.27 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.929 0.395 . . . . 63.23 110.028 179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . . . -134.18 167.01 21.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.918 -0.583 . . . . 24.11 111.103 -173.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.7 p -53.88 150.32 7.78 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.465 -0.789 . . . . 62.51 111.321 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 tpt180 -52.62 -52.53 54.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.627 -0.715 . . . . 61.4 111.495 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.1 -49.76 76.64 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.364 -0.38 . . . . 62.54 111.759 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -57.9 -47.73 81.95 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.052 0.453 . . . . 73.43 110.421 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.556 ' O ' HG23 ' A' ' 59' ' ' VAL . 85.0 m -60.98 -48.14 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.441 -0.799 . . . . 64.42 111.128 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 52' ' ' ARG . 77.2 t -57.18 -48.74 81.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.712 0.292 . . . . 63.11 110.824 -178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.62 -47.4 86.37 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.515 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -63.04 -42.81 99.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 75.13 110.57 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.631 HG22 HG13 ' A' ' 22' ' ' VAL . 63.5 t -55.53 -50.09 68.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.014 -0.539 . . . . 73.44 110.638 176.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' O ' ' CD1' ' A' ' 63' ' ' TRP . 26.6 t70 -58.27 -59.62 5.04 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.07 -0.514 . . . . 75.12 110.979 -176.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -52.45 -9.95 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.509 0.929 . . . . 74.24 113.509 -170.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' ASP . 15.1 m-70 -93.97 13.16 23.69 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.356 0.502 . . . . 73.44 112.356 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.439 ' CD1' ' O ' ' A' ' 60' ' ' ASP . 34.3 p-90 -88.4 -7.29 56.88 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.744 -0.597 . . . . 75.22 110.9 175.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.5 t -54.54 -29.24 50.34 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.277 0.473 . . . . 62.45 112.277 -175.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -154.82 95.99 1.82 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.699 0.285 . . . . 73.45 110.449 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.704 HG22 ' HD2' ' A' ' 68' ' ' PRO . 55.3 mt -98.15 138.89 21.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 109.012 -0.736 . . . . 55.33 109.012 175.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.736 ' HB3' ' HD3' ' A' ' 68' ' ' PRO . 3.8 tpp180 -69.11 -55.95 9.5 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 112.121 0.415 . . . . 74.24 112.121 -170.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 67' ' ' ARG . 39.2 Cg_exo -57.69 148.03 76.56 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.25 1.967 . . . . 54.14 112.333 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -64.8 86.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.744 -0.836 . . . . 61.4 108.744 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 m -75.8 99.7 4.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.7 -0.682 . . . . 33.04 111.554 -173.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.48 -20.87 42.73 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.444 -0.576 . . . . 51.23 109.444 174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -78.69 46.0 0.63 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.384 -0.825 . . . . 54.12 109.957 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 41.0 tt0 -75.96 142.52 41.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 70.21 110.777 -176.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -151.06 -177.51 6.07 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.727 -0.67 . . . . 75.42 109.27 176.24 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.555 HD22 ' H ' ' A' ' 76' ' ' ALA . 3.1 tm? -152.93 140.43 19.74 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.842 0.353 . . . . 72.41 110.124 -177.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.555 ' H ' HD22 ' A' ' 75' ' ' LEU . . . -102.26 102.83 13.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 72.54 109.959 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.0 t -57.79 140.68 51.1 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.051 0.453 . . . . 75.32 110.616 -176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.38 -34.91 4.55 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 116.012 -0.54 . . . . 74.32 112.456 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 28.2 tt0 60.22 24.11 13.49 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.871 0.844 . . . . 65.34 109.859 -177.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.015 -0.993 . . . . 64.22 110.989 -179.059 . . . . . . . . 0 0 . 1 stop_ save_