data_2eya_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 2eya _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.609 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 79.3 m . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.448 HG22 ' SG ' ' A' ' 32' ' ' CYS . 29.8 m -114.07 124.72 52.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.585 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.3 m -131.5 128.56 39.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -114.14 152.96 46.33 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 3.1 Cg_exo -81.29 164.89 19.15 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.731 2.287 . . . . 0.0 111.516 172.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t 54.98 121.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.181 0.926 . . . . 0.0 113.034 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.69 -30.86 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.386 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.07 -42.93 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 5' ' ' PRO . . . -65.85 -42.79 90.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HA ' ' HB3' ' A' ' 13' ' ' PHE . 9.5 tmm_? -70.25 -26.06 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.863 0.363 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -60.76 -55.32 34.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.27 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -68.94 -27.16 65.5 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.595 0.236 . . . . 0.0 110.501 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' HB2' HG22 ' A' ' 30' ' ' THR . 67.3 t80 -58.21 -47.49 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 110.749 173.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -66.91 -44.75 79.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.81 -28.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.521 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -64.65 -37.53 87.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.384 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -83.29 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.686 0.279 . . . . 0.0 111.587 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -63.64 -51.4 66.39 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.4 Cg_exo -71.42 2.73 4.18 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.586 2.191 . . . . 0.0 113.036 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.49 25.14 12.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.713 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -84.33 130.26 54.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 7.0 Cg_endo -50.53 138.09 39.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.311 2.674 . . . . 0.0 112.994 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.67 -44.92 93.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.219 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.333 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 1.3 tt -58.36 -54.91 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.6 m -60.74 -33.21 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.423 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.79 89.8 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.871 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.5 m -67.06 -31.26 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.342 0.591 . . . . 0.0 110.653 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -75.32 -25.04 57.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.47 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 13' ' ' PHE . 7.5 p -105.34 -4.06 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.19 37.68 59.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.604 -1.284 . . . . 0.0 110.61 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.9 t -99.95 153.67 19.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.606 -0.797 . . . . 0.0 110.306 -173.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.2 pt -113.76 143.53 23.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 111.583 -176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.32 103.37 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.705 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 pt -104.58 150.9 39.05 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.41 -28.5 46.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.302 2.668 . . . . 0.0 112.432 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.79 156.67 49.09 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.864 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -98.82 12.84 34.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.05 0.452 . . . . 0.0 111.326 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.3 m -152.83 128.11 9.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.317 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 m -101.7 147.55 34.01 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.237 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.04 150.17 85.51 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.565 2.177 . . . . 0.0 111.307 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.46 -11.12 55.83 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.842 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.62 -29.51 70.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.697 0.399 . . . . 0.0 111.388 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -141.31 30.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.667 -173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.99 112.88 13.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 0.0 111.715 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.602 175.222 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 m -92.49 124.58 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.797 0.332 . . . . 0.0 110.291 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -129.68 141.86 50.83 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -109.65 156.08 40.3 Favored Pre-proline 0 C--N 1.319 -0.73 0 O-C-N 122.139 -0.35 . . . . 0.0 110.377 -177.413 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -82.19 153.56 16.46 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.536 2.157 . . . . 0.0 111.721 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t 56.78 152.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.911 -1.04 . . . . 0.0 113.562 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm -70.68 -32.22 48.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.117 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.28 -39.82 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.964 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.04 84.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.234 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.59 -50.17 74.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.883 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.469 ' O ' HG21 ' A' ' 15' ' ' VAL . 18.0 m -60.6 -38.0 83.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.337 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -72.93 -33.64 66.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.111 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -63.78 -41.11 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.031 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.97 -39.56 90.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 11' ' ' SER . 68.6 t -61.38 -37.06 76.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -72.9 -36.8 67.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.9 tpt180 -75.55 -27.28 58.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.428 -176.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 tp -52.74 -53.09 58.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.86 -4.99 15.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.656 1.57 . . . . 0.0 113.322 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.19 49.64 1.7 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.564 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -101.73 133.68 20.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 143.47 60.87 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.932 2.422 . . . . 0.0 112.042 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.86 -33.79 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.96 88.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.07 0.462 . . . . 0.0 110.458 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.48 -47.65 75.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.17 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.39 -47.09 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.63 -37.47 65.69 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -67.6 -27.98 67.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.226 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -86.56 -37.42 18.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.648 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.66 -24.43 29.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.019 0.438 . . . . 0.0 111.598 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.63 31.12 8.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.248 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.3 m -83.97 150.2 25.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 pt -98.78 136.94 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 0.0 110.13 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -110.78 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.144 0.497 . . . . 0.0 110.086 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.1 pt -114.09 150.89 44.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.545 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.46 -19.92 36.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.032 2.488 . . . . 0.0 111.904 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.49 152.25 52.56 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.75 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.874 0.369 . . . . 0.0 110.611 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.1 m -102.4 115.7 31.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.02 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 97.5 m -90.61 132.42 35.15 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 38.9 Cg_exo -58.97 138.14 83.88 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.511 2.141 . . . . 0.0 111.296 177.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.67 -26.28 38.81 Favored Glycine 0 C--N 1.329 0.19 0 O-C-N 123.609 0.568 . . . . 0.0 112.876 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.86 -28.93 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.732 0.413 . . . . 0.0 111.378 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -136.8 18.81 3.05 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.015 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.64 94.02 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.931 0.396 . . . . 0.0 111.967 -175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 14.4 m-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.215 -0.898 . . . . 0.0 108.908 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -121.97 148.57 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.996 0.427 . . . . 0.0 110.79 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -115.38 129.58 56.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.606 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.9 m -111.14 118.54 47.63 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.747 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HB2' ' H ' ' A' ' 6' ' ' SER . 50.9 Cg_exo -60.83 -70.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.382 2.721 . . . . 0.0 112.175 173.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.412 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 42.9 t -72.94 140.28 47.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.093 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 46' ' ' ASN . 50.9 mt -70.97 -24.75 24.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.525 0.679 . . . . 0.0 109.742 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.18 -32.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.9 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.23 72.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.053 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -55.86 -51.73 66.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.24 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -64.14 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.748 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -62.01 -39.45 92.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.564 0.221 . . . . 0.0 111.315 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 56.3 t80 -61.62 -45.59 93.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.66 -34.96 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.671 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.75 -37.41 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.113 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.91 -43.62 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.602 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 21' ' ' THR . 14.3 ttp180 -85.67 -8.32 58.28 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.664 -176.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.543 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.8 tm? -54.46 -50.86 82.83 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.634 -178.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.3 Cg_exo -71.51 7.31 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.268 1.978 . . . . 0.0 113.144 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.75 34.16 8.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.662 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 39.6 m -89.19 133.57 34.83 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -48.27 132.37 23.69 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.328 2.686 . . . . 0.0 112.588 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.488 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 9.8 pt-20 -59.42 -35.06 73.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.221 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -60.15 -46.73 88.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.025 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.07 -42.78 95.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.413 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -75.9 -40.69 53.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.444 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.21 -56.07 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.392 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.1 m -61.56 -29.76 70.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.686 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.12 -37.1 34.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -87.63 -39.22 15.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 -173.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 31.72 0.7 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.224 -0.989 . . . . 0.0 113.058 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -113.32 142.96 45.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.7 pt -98.44 147.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.482 0.182 . . . . 0.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 24' ' ' ALA . 54.2 mt -114.48 135.08 55.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.079 0.466 . . . . 0.0 110.721 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 pt -127.93 153.78 78.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.028 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.31 40.78 0.63 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.809 2.339 . . . . 0.0 112.507 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.29 153.64 22.01 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.764 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.44 1.53 54.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.861 0.363 . . . . 0.0 111.24 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -132.07 146.4 52.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.4 m -110.24 149.66 40.44 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.114 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 13.3 Cg_endo -58.43 141.18 96.93 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.811 2.341 . . . . 0.0 111.704 174.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.47 -40.2 76.67 Favored Glycine 0 CA--C 1.518 0.241 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.199 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.57 -31.92 72.81 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.525 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 69.5 m-85 -104.22 22.57 14.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 -176.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.24 85.42 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.302 0.573 . . . . 0.0 109.767 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.416 ' HB3' HG12 ' A' ' 7' ' ' ILE . 23.9 m-80 . . . . . 0 C--O 1.242 0.69 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.051 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.499 ' H1 ' HG13 ' A' ' 35' ' ' ILE . 28.1 m . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.549 HG23 HG12 ' A' ' 34' ' ' ILE . 7.2 m -74.96 120.8 20.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.783 0.325 . . . . 0.0 110.294 176.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.02 122.3 37.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.9 m -104.2 156.44 35.75 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 120.717 0.294 . . . . 0.0 110.762 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.426 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 47.2 Cg_endo -73.07 -154.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.826 2.351 . . . . 0.0 111.737 172.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -31.49 135.24 0.07 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.022 0.826 . . . . 0.0 112.415 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -45.62 -38.07 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -51.98 -32.11 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.082 0.467 . . . . 0.0 111.443 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.67 75.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 10' ' ' ARG . 19.3 ttm-85 -60.52 -39.15 86.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.913 0.387 . . . . 0.0 110.196 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.488 ' O ' HG22 ' A' ' 15' ' ' VAL . 5.3 m -57.72 -57.7 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.302 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.5 -37.34 86.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.56 -41.38 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.231 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -71.28 -38.39 71.84 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 122.205 -0.309 . . . . 0.0 111.224 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 11' ' ' SER . 58.8 t -64.02 -34.74 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.066 0.46 . . . . 0.0 110.246 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 47.4 t -65.44 -34.41 78.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.578 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 68.2 mtm180 -84.39 -6.89 59.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -60.19 -50.75 84.61 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.509 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.8 Cg_exo -71.54 -6.17 18.58 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.112 1.875 . . . . 0.0 112.305 178.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.77 15.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.641 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -71.54 134.15 84.48 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.21 142.9 66.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.991 2.46 . . . . 0.0 112.858 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 40.8 mt-10 -62.43 -38.51 90.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.61 81.01 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 111.068 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.88 -55.02 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.249 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.5 m -58.8 -41.65 87.24 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.937 0.399 . . . . 0.0 111.072 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 m -81.3 -32.69 33.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.35 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 -42.89 16.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.51 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -88.27 -51.99 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.217 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.83 85.69 0.28 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 t -164.92 158.05 16.75 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.63 147.68 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.314 0.578 . . . . 0.0 111.131 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.549 HG12 HG23 ' A' ' 2' ' ' THR . 73.5 mt -121.89 107.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.499 HG13 ' H1 ' ' A' ' 1' ' ' THR . 23.0 pt -86.66 146.33 41.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.247 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.33 -39.62 75.61 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.242 2.628 . . . . 0.0 113.005 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.3 176.88 25.93 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.26 141.08 0.06 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.61 0.719 . . . . 0.0 111.14 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 169.31 18.49 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.403 178.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.1 m -81.25 117.67 69.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.99 155.16 57.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.488 2.125 . . . . 0.0 111.625 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.09 -23.85 53.22 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.775 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.0 -38.91 90.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.115 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -128.61 35.38 4.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.615 0.721 . . . . 0.0 109.993 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.91 84.95 5.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.245 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.027 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -96.75 136.58 37.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -127.33 108.86 11.22 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.9 m -94.23 167.88 12.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.144 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -66.12 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.399 2.066 . . . . 0.0 112.261 172.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -59.32 170.75 0.9 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.93 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.55 -49.22 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.983 -172.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.3 t -63.79 -47.54 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 110.997 -175.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.72 90.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.833 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.695 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 79.0 ttt180 -62.65 -38.06 88.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 m -65.14 -41.15 95.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.576 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -58.78 -39.85 82.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.6 t80 -61.54 -42.01 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.659 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -72.03 -43.14 65.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.98 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.83 -35.87 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.065 0.459 . . . . 0.0 110.973 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -65.24 -23.67 67.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.66 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 78.8 mtm180 -92.65 10.61 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.096 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -76.49 -52.44 2.25 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 87.0 Cg_endo -81.14 -168.33 0.61 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.198 1.932 . . . . 0.0 112.784 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.48 55.73 4.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.124 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -112.63 130.11 23.75 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -50.88 124.16 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.063 2.509 . . . . 0.0 112.936 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.66 ' HG3' ' HD3' ' A' ' 17' ' ' ARG . 35.6 tt0 -57.47 -40.38 78.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.93 79.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.83 -47.06 82.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.706 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.2 m -60.52 -37.99 82.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.311 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -62.14 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -62.04 -30.52 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -73.2 -26.09 61.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.065 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.3 p -100.28 -9.32 22.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.369 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.99 19.42 63.06 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.374 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -96.02 136.79 36.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -108.45 140.29 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.15 100.13 10.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.687 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 pt -99.19 150.99 37.23 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.295 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.43 -10.81 28.82 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.828 2.352 . . . . 0.0 111.632 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.45 173.95 39.36 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.937 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.8 -35.68 7.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.559 0.219 . . . . 0.0 111.277 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -99.39 132.76 44.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.213 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.3 m -83.14 150.58 61.44 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.677 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.449 ' HB2' ' HD1' ' A' ' 44' ' ' TYR . 52.3 Cg_exo -56.24 147.44 66.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 111.932 174.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.44 88.02 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.749 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.22 -37.25 69.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 0.0 110.285 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.449 ' HD1' ' HB2' ' A' ' 41' ' ' PRO . 93.2 m-85 -89.88 37.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.805 -176.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.78 87.44 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 111.355 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.695 ' OXT' ' HD2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.338 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -126.67 148.84 49.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.577 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.493 ' O ' HG12 ' A' ' 33' ' ' ILE . 97.0 m -132.68 120.35 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.424 ' SG ' ' HD2' ' A' ' 10' ' ' ARG . 95.8 m -98.33 142.74 25.08 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.929 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.506 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 41.7 Cg_exo -44.06 -71.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.899 3.066 . . . . 0.0 114.655 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t -114.12 169.74 8.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.766 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.659 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.0 mt -51.54 -44.65 34.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.169 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.4 -39.11 84.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.314 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.46 92.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.518 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 11.7 tpt180 -68.77 -36.88 78.88 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 t -61.68 -47.98 82.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.076 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -56.43 -40.76 75.28 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.343 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.25 -39.78 88.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.382 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -43.75 59.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.645 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.81 -33.07 56.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.38 -23.73 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.479 . . . . 0.0 111.033 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 9.2 mmm180 -87.83 0.63 55.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.764 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -74.38 -54.08 3.32 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 -179.007 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 8.1 Cg_exo -73.6 -4.26 15.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.389 2.059 . . . . 0.0 112.557 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.58 47.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.237 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -67.18 129.61 93.83 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.81 134.9 67.44 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.336 2.69 . . . . 0.0 112.919 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -64.73 -33.4 75.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.818 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.51 69.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.203 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 35.5 tp -85.68 -44.81 12.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.58 -39.19 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.09 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.17 -60.32 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -69.57 -34.93 74.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.335 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 1.8 t80 -63.13 -36.94 85.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.068 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.1 -32.71 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.361 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.75 3.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.515 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -97.93 149.37 22.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 3' ' ' CYS . 37.8 pt -103.51 144.35 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.987 -171.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.2 mt -99.39 120.26 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.159 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.423 HD13 ' SG ' ' A' ' 3' ' ' CYS . 48.7 pt -113.29 150.71 43.49 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.28 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.99 -53.09 6.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.799 2.333 . . . . 0.0 111.943 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.66 141.99 3.35 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.116 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 76.56 -43.62 0.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 m -78.44 95.2 5.06 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.217 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -137.17 127.46 15.87 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.48 138.45 65.95 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.967 2.445 . . . . 0.0 112.788 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.45 51.94 3.73 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.603 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -170.31 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 13.5 m-85 -94.75 14.66 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.2 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.61 87.76 7.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.468 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.659 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 3.8 t30 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.638 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 120.816 0.341 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.406 HG21 HG12 ' A' ' 34' ' ' ILE . 7.1 m -102.82 126.49 49.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.189 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.98 116.57 16.58 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.0 m -94.94 161.9 26.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.734 0.302 . . . . 0.0 111.378 -174.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 44.8 Cg_exo -45.12 -66.65 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.706 2.937 . . . . 0.0 113.55 175.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -127.97 164.74 21.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.353 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.08 -23.89 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.568 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.77 -38.6 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.46 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.05 90.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -58.4 -44.87 89.16 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 109.981 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -63.11 -49.49 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.618 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -64.84 -30.95 71.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.924 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -58.37 -48.55 80.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -64.12 -40.29 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.444 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.87 -40.15 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.272 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.547 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -64.95 -41.6 95.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.01 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 37.1 ttt180 -80.07 -15.49 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.371 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.9 tt -57.37 -51.47 81.47 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.985 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 9.9 Cg_exo -72.92 8.21 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.636 2.224 . . . . 0.0 113.132 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.15 24.97 9.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.531 -0.843 . . . . 0.0 113.487 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -88.31 130.2 46.73 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 117.123 0.461 . . . . 0.0 110.061 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.53 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 11.0 Cg_endo -54.78 138.15 76.07 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.268 2.645 . . . . 0.0 112.769 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.572 ' HG3' ' HD2' ' A' ' 17' ' ' ARG . 3.2 mp0 -46.04 -55.9 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.624 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.19 72.75 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.948 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.53 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -63.33 -44.62 94.37 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.8 m -69.46 -34.63 74.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.72 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.674 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.6 m -61.25 -43.81 98.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.331 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -73.01 -31.41 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -175.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -83.77 -4.92 59.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.35 29.92 69.71 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.245 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 19.1 t -87.06 153.03 21.85 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -118.1 146.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.464 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 HG12 HG21 ' A' ' 2' ' ' THR . 66.5 mt -121.73 102.99 12.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.689 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.7 pt -100.61 149.96 36.57 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.9 -26.91 43.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.097 2.531 . . . . 0.0 112.189 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.6 -172.97 39.72 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.674 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.28 8.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.192 0.52 . . . . 0.0 110.409 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -80.99 71.57 7.96 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.192 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -108.24 115.95 57.45 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.646 171.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.77 156.82 55.47 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.0 56.19 2.69 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.548 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -162.83 -40.7 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -94.23 -22.21 18.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.932 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -77.79 96.91 5.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.719 176.54 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.458 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 87.6 m . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.77 0.319 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -88.11 128.55 35.43 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -129.83 113.69 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 109.944 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 72.4 m -95.62 152.84 39.43 Favored Pre-proline 0 C--N 1.316 -0.885 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.585 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.55 -74.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 124.006 3.138 . . . . 0.0 114.471 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -135.56 -172.06 2.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.89 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.734 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 63.7 mt -55.67 -43.48 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.313 -172.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.01 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.445 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.07 99.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.644 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 23.4 ttm180 -62.97 -41.78 99.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' HG21 ' A' ' 15' ' ' VAL . 57.2 m -59.99 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.688 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -71.09 -31.77 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.578 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.51 -45.09 95.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.136 0.493 . . . . 0.0 109.898 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -63.21 -38.72 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 11' ' ' SER . 86.5 t -63.83 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 t -65.46 -46.33 80.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.529 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 21' ' ' THR . 39.8 ttt-85 -82.91 -7.93 59.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.462 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -49.9 -52.26 53.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 44.1 Cg_endo -70.9 2.52 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.356 2.037 . . . . 0.0 113.559 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.27 6.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.861 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.625 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 6.3 m -80.28 138.24 52.28 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.82 145.68 71.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.06 -45.85 86.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.996 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.56 85.14 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.112 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.76 -55.02 38.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.804 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.4 m -66.4 -28.37 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.534 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.28 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.056 0.455 . . . . 0.0 109.982 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -78.12 -29.03 48.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.528 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.83 -42.55 81.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -102.59 -20.3 14.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 111.456 -171.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.21 34.72 6.01 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.1 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.3 t -99.84 146.65 26.37 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -110.95 149.06 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.237 0.541 . . . . 0.0 111.737 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.0 mm -106.71 138.96 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.368 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.3 pt -127.07 143.04 45.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.494 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.51 -22.91 58.22 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.871 2.381 . . . . 0.0 111.807 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.57 -175.79 41.38 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.677 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -113.62 -23.69 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.393 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -106.96 117.16 33.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.024 0.44 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.96 136.55 50.58 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.442 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.52 118.47 5.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.565 2.177 . . . . 0.0 111.195 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' HA2' ' HB1' ' A' ' 45' ' ' ALA . . . -59.21 -20.09 48.81 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 113.428 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.39 -24.46 66.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.596 0.359 . . . . 0.0 110.57 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -145.12 36.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -117.74 100.14 7.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.734 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 1.9 t30 . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.758 0.313 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.49 HG21 ' SG ' ' A' ' 32' ' ' CYS . 10.3 m -101.51 131.16 47.82 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -132.67 123.62 26.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.13 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.0 m -103.7 163.65 16.97 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.54 -73.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.302 2.668 . . . . 0.0 113.584 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -92.78 161.25 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.263 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.478 ' CG1' HD22 ' A' ' 46' ' ' ASN . 59.2 mt -67.91 -40.67 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.095 0.474 . . . . 0.0 109.888 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.51 -34.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.608 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.81 84.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.626 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.97 -46.92 79.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.738 0.304 . . . . 0.0 110.606 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.503 ' O ' HG21 ' A' ' 15' ' ' VAL . 22.2 m -59.24 -48.56 81.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.11 -29.78 69.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.089 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HZ ' ' HB3' ' A' ' 23' ' ' GLU . 66.6 t80 -67.89 -38.34 82.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.074 0.464 . . . . 0.0 109.875 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.43 -30.35 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 11' ' ' SER . 80.4 t -60.05 -42.19 88.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.757 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 5.4 t -60.57 -47.34 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.179 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.891 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 29.9 mtp180 -82.85 10.4 7.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.515 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.7 tt -80.88 -57.64 0.57 Allowed Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 59.3 Cg_endo -72.72 -20.52 22.81 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.747 1.631 . . . . 0.0 112.045 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.32 63.12 0.49 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.426 -0.893 . . . . 0.0 112.438 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.757 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.5 m -117.37 134.91 23.06 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -50.31 134.62 38.27 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.306 2.671 . . . . 0.0 113.569 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.891 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 33.4 mt-10 -57.31 -50.32 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.353 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.26 78.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.395 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.2 -49.33 78.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.125 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -80.25 -41.98 24.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.014 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -34.68 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.759 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -66.23 -26.14 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -89.59 -37.34 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.666 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -19.41 57.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.367 . . . . 0.0 111.353 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.28 13.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.465 -0.874 . . . . 0.0 110.957 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 2' ' ' THR . 38.5 t -106.43 142.85 35.43 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 pt -103.71 141.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.324 0.583 . . . . 0.0 111.844 -172.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.95 115.76 48.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.885 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 pt -119.86 142.66 33.59 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.83 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 3.3 Cg_exo -77.2 74.32 5.11 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.717 2.278 . . . . 0.0 111.321 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.02 -148.26 6.42 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.839 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.99 19.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 110.91 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 m -124.87 93.61 3.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.102 0.477 . . . . 0.0 110.85 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.1 131.3 24.47 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.23 134.84 61.78 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.247 1.964 . . . . 0.0 111.048 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.99 -30.03 29.18 Favored Glycine 0 CA--C 1.521 0.43 0 O-C-N 123.387 0.429 . . . . 0.0 113.466 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.62 -21.98 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.91 26.34 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.204 0.526 . . . . 0.0 110.657 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.05 96.95 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.066 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.478 HD22 ' CG1' ' A' ' 7' ' ' ILE . 16.8 t-20 . . . . . 0 C--O 1.243 0.742 0 CA-C-O 118.255 -0.879 . . . . 0.0 109.534 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.583 ' HB ' HG22 ' A' ' 35' ' ' ILE . 27.8 m . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 m -108.88 128.87 55.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.806 0.336 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 82.9 m -130.97 142.03 50.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.086 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t -147.47 137.76 12.53 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 6.4 Cg_exo -73.3 156.05 50.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 111.191 175.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t 57.32 129.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.995 0.903 . . . . 0.0 112.721 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.675 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.1 mt -63.13 -28.09 44.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.506 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -67.95 -31.9 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.628 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.85 68.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.76 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -60.66 -41.19 94.5 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.714 0.292 . . . . 0.0 110.467 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.462 ' O ' HG21 ' A' ' 15' ' ' VAL . 13.2 t -58.12 -48.92 78.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.64 -33.54 76.14 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -60.26 -45.26 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.71 -41.8 68.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 11' ' ' SER . 93.4 t -63.81 -30.35 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 110.695 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.9 t -60.45 -33.28 72.33 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.611 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 59.9 mtp180 -88.9 -5.88 57.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.2 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.2 tp -65.95 -50.11 54.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.79 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.2 Cg_exo -71.62 -31.89 12.76 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.668 1.579 . . . . 0.0 111.791 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 73.32 0.16 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.324 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.9 m -135.17 136.13 24.09 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -51.75 140.44 46.93 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.347 2.698 . . . . 0.0 112.98 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.611 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -63.75 -42.12 97.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.332 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.09 99.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 0.0 110.402 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.5 -49.11 79.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.185 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -60.82 -44.63 96.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.26 82.54 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -69.43 -27.42 65.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 110.6 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -77.2 -35.85 55.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 p -88.97 -34.74 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.774 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.75 29.63 3.52 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.052 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.94 142.91 28.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.9 150.11 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.092 0.472 . . . . 0.0 111.189 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.97 112.19 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.428 0.632 . . . . 0.0 110.101 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.583 HG22 ' HB ' ' A' ' 1' ' ' THR . 4.4 tt -109.43 128.84 24.7 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.602 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.67 -9.73 19.92 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.457 2.104 . . . . 0.0 112.041 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -92.38 144.32 17.03 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.247 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 53.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.104 0.478 . . . . 0.0 111.598 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.2 m -154.68 125.44 7.06 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -119.74 136.99 25.14 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.699 0.285 . . . . 0.0 110.486 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -61.13 150.71 83.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.081 2.52 . . . . 0.0 111.971 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.52 -29.64 69.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.653 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -83.93 -10.89 57.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.99 0.424 . . . . 0.0 110.724 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.476 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 50.1 m-85 -113.76 14.26 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.647 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 46' ' ' ASN . . . -80.1 85.18 5.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.656 -175.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.675 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.5 t30 . . . . . 0 C--O 1.247 0.95 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.091 0.472 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.567 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.2 m -97.34 130.39 44.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.103 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m -126.31 114.62 18.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.529 ' HB2' ' OXT' ' A' ' 46' ' ' ASN . 59.5 m -105.16 160.28 26.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.03 -176.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -57.51 -113.55 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 123.647 2.898 . . . . 0.0 113.394 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 t -75.34 169.45 18.04 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 121.362 -0.836 . . . . 0.0 110.609 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.917 ' HA ' HD22 ' A' ' 46' ' ' ASN . 43.9 mt -58.68 -37.28 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.621 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -52.59 -40.44 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.474 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.74 -14.7 63.17 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.685 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -97.96 -40.83 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.953 0.406 . . . . 0.0 110.468 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -57.75 -39.62 77.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.51 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -83.56 -27.73 29.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.87 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -62.99 -41.36 99.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -67.18 -16.85 64.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.225 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.15 -46.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.91 -30.7 70.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.618 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 14.7 tpt180 -94.53 8.31 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 110.726 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -63.67 -52.05 61.47 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 93.2 Cg_endo -89.74 -166.72 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.744 1.629 . . . . 0.0 112.553 176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.11 58.11 3.98 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.42 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -106.18 134.87 19.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.597 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 94.3 Cg_exo -46.31 133.98 15.68 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.247 2.631 . . . . 0.0 112.812 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 6.5 mt-10 -74.38 -41.22 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 -173.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.27 83.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.872 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.3 tt -53.37 -55.88 21.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.204 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 m -66.37 -39.88 89.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.05 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.75 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.526 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.3 m -67.16 -29.58 69.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -71.51 -35.32 70.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.7 p -90.97 -28.88 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.92 24.65 8.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.605 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.567 ' SG ' HG22 ' A' ' 2' ' ' THR . 46.1 t -93.47 154.61 17.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -115.53 139.57 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.178 0.513 . . . . 0.0 111.543 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 2' ' ' THR . 72.9 mt -111.37 112.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.896 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 pt -106.46 137.81 19.55 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.039 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.74 -18.17 62.88 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.992 2.462 . . . . 0.0 113.131 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.16 166.97 12.75 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.463 -0.399 . . . . 0.0 113.212 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.13 -23.04 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.911 0.386 . . . . 0.0 110.725 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -109.96 166.9 10.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.906 0.384 . . . . 0.0 110.55 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.4 t -152.38 128.05 5.02 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.54 135.46 66.52 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.046 2.497 . . . . 0.0 112.542 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.79 -28.13 65.23 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 113.566 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.93 -22.18 66.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.832 0.348 . . . . 0.0 111.402 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -132.39 23.65 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.701 . . . . 0.0 109.33 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.5 89.0 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.18 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.917 HD22 ' HA ' ' A' ' 7' ' ' ILE . 2.4 t30 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.116 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.714 0.293 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.633 ' HB ' HG12 ' A' ' 34' ' ' ILE . 5.4 t -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 38.8 m -125.26 131.83 53.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.846 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 89.2 m -115.76 154.32 48.08 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.494 -174.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.99 -71.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.261 2.641 . . . . 0.0 113.306 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -114.98 168.76 9.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.499 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.56 -28.52 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.425 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.28 -39.11 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -68.12 -35.61 78.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.7 ttm-85 -67.67 -36.74 81.27 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.217 0.532 . . . . 0.0 110.143 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 m -68.88 -41.77 77.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.923 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.44 -27.52 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.353 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.59 -51.58 66.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 110.654 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.73 -43.77 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.044 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.4 t -63.29 -36.06 82.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.493 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 61.9 mtp180 -91.65 2.87 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 119.641 -0.218 . . . . 0.0 111.343 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.45 -36.65 33.65 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.207 1.938 . . . . 0.0 112.42 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.94 67.35 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.363 -0.923 . . . . 0.0 112.465 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 24.1 m -132.75 132.75 22.75 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' HD13 ' A' ' 25' ' ' LEU . 31.4 Cg_exo -59.27 143.11 99.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.799 2.333 . . . . 0.0 112.424 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 9.5 pt-20 -58.54 -32.66 69.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.553 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.98 91.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.49 HD13 ' HD2' ' A' ' 22' ' ' PRO . 39.1 mt -69.72 -34.86 74.45 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.5 m -66.88 -25.99 66.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.654 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -26.11 43.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.404 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -61.4 -53.67 53.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.809 -176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -77.22 -28.65 53.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -79.48 -27.12 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.84 26.37 27.03 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.734 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.3 m -87.78 136.87 32.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.942 0.401 . . . . 0.0 110.511 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.6 pt -108.99 136.15 45.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.633 HG12 ' HB ' ' A' ' 2' ' ' THR . 63.8 mt -118.25 127.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 110.773 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 pt -120.47 151.22 53.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.536 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.55 36.64 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.228 2.619 . . . . 0.0 112.804 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.89 146.67 18.5 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.81 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -78.0 172.93 12.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.208 0.528 . . . . 0.0 111.291 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -152.92 136.15 9.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.758 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.57 138.31 80.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.082 . . . . 0.0 111.545 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.33 -43.79 95.45 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.374 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.53 -46.1 80.78 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.86 0.362 . . . . 0.0 111.338 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.2 m-85 -92.52 10.21 31.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.89 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.78 86.7 7.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.963 0.411 . . . . 0.0 110.377 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -178.594 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.425 ' HB ' HG13 ' A' ' 35' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.821 0.343 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -107.86 109.64 21.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.182 0.515 . . . . 0.0 110.069 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.46 97.04 6.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.055 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.82 134.56 19.79 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.8 Cg_exo -81.18 165.11 19.27 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.678 2.252 . . . . 0.0 111.32 171.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t 57.24 126.34 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.922 0.868 . . . . 0.0 113.239 -177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.38 -28.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.496 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.0 -44.82 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 5' ' ' PRO . . . -66.36 -33.73 76.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -55.24 -46.97 76.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.236 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 t -65.18 -46.73 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.237 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -53.01 -47.46 68.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -58.52 -47.45 84.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.664 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.7 t -75.73 -27.47 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.029 0.442 . . . . 0.0 110.6 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.0 t -65.98 -19.81 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -85.88 2.17 47.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.006 0.431 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -79.04 -49.82 1.46 Allowed Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 176.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.4 Cg_exo -70.06 164.71 33.83 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.662 1.574 . . . . 0.0 112.114 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.22 48.65 3.4 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.999 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -107.39 145.95 32.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.67 134.12 62.36 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.79 2.326 . . . . 0.0 112.877 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -35.84 80.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.87 71.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.515 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -71.16 -44.96 64.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.6 -36.53 76.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.661 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -53.68 16.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.417 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -59.64 -40.32 87.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.77 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.84 -33.43 75.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 111.354 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.486 ' HB ' ' HB1' ' A' ' 9' ' ' ALA . 27.2 p -91.77 -9.46 43.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.29 64.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.684 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 t -88.57 143.57 26.87 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.4 pt -113.77 137.93 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.075 0.464 . . . . 0.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -109.94 107.39 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.752 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.425 HG13 ' HB ' ' A' ' 1' ' ' THR . 10.7 pt -119.63 131.35 24.42 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 10.1 Cg_exo -73.38 -15.1 25.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.3 177.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.06 169.16 25.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.41 144.79 0.07 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.542 0.687 . . . . 0.0 111.032 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -86.19 173.46 9.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.432 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.0 m -82.73 139.87 43.78 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.864 0.364 . . . . 0.0 111.278 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.12 147.82 91.78 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.627 2.218 . . . . 0.0 110.663 171.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.12 -54.23 27.15 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 121.316 -0.469 . . . . 0.0 113.499 -174.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.39 -8.87 58.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 0.0 111.505 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -107.71 9.0 29.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.207 0.527 . . . . 0.0 110.155 -174.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.95 88.56 2.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.5 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.806 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.458 0.17 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.765 HG21 HG12 ' A' ' 34' ' ' ILE . 3.4 m -79.69 111.11 15.67 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.8 m -131.49 109.16 10.08 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.682 0.753 . . . . 0.0 110.903 -173.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 75.2 m -105.75 167.11 10.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.829 -174.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 31.6 Cg_endo -66.57 -156.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.822 2.348 . . . . 0.0 111.842 170.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -38.96 137.67 0.64 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.649 0.593 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.5 mt -42.18 -41.04 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -172.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.4 -34.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 111.553 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.55 80.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.328 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 50.5 ttp85 -72.82 -26.59 61.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 0.0 110.15 -178.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 t -61.5 -45.19 95.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.468 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -66.3 -21.23 66.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.419 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 39.5 t80 -63.81 -38.48 91.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.355 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.9 OUTLIER -65.8 -28.57 69.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 178.438 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.28 -52.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.483 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 21' ' ' THR . 2.2 t -59.79 -41.55 91.43 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 120.991 0.424 . . . . 0.0 112.095 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.703 ' HD3' ' HB3' ' A' ' 23' ' ' GLU . 28.6 tpt85 -82.11 -6.96 59.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.358 -170.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.593 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.5 tp -68.71 -53.63 15.35 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 2.9 Cg_exo -76.86 0.94 9.13 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.373 2.049 . . . . 0.0 112.781 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.5 16.83 54.47 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.324 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 30.4 m -67.14 137.09 94.15 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.71 120.55 4.75 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.292 2.661 . . . . 0.0 113.117 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.703 ' HB3' ' HD3' ' A' ' 17' ' ' ARG . 9.8 pt-20 -71.34 -32.53 68.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.356 -175.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.61 78.44 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.63 -48.8 79.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.25 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.89 -37.24 85.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.95 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.5 . . . . 0.0 111.603 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -75.94 -28.35 57.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.037 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -91.6 -36.64 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -85.86 -17.11 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.055 0.455 . . . . 0.0 110.601 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 40.03 8.55 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.42 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -110.62 153.02 25.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.8 pt -115.35 133.83 60.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.183 0.516 . . . . 0.0 110.463 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.765 HG12 HG21 ' A' ' 2' ' ' THR . 62.4 mt -119.96 97.45 5.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.956 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 33.7 pt -113.8 154.87 45.76 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.891 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 1.5 Cg_endo -83.72 13.91 2.55 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.111 2.541 . . . . 0.0 111.642 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.08 176.18 18.34 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.291 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.38 -19.69 13.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.824 0.345 . . . . 0.0 111.087 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -78.28 92.62 4.53 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 111.558 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.7 m -111.57 136.72 21.05 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.37 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.39 163.96 34.46 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.568 2.179 . . . . 0.0 112.175 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.8 -15.35 78.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.489 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.75 -48.87 57.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.142 0.496 . . . . 0.0 110.321 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -105.07 65.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.18 87.42 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.135 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.596 0.236 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.518 HG23 HG12 ' A' ' 34' ' ' ILE . 18.7 m -111.39 119.8 40.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -122.82 137.74 54.84 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.732 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 83.5 m -120.24 175.09 2.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.538 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 32.0 Cg_exo -60.74 -150.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.837 2.358 . . . . 0.0 111.454 166.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -53.76 164.09 0.61 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.23 0.538 . . . . 0.0 111.44 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.68 -29.44 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.613 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.31 -38.57 82.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.138 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.94 97.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.358 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.79 -46.94 77.87 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.706 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.045 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -67.92 -28.3 67.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.414 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.81 -54.28 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.601 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.63 -32.86 66.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.613 0.244 . . . . 0.0 111.226 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -70.39 -24.86 26.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.093 0.473 . . . . 0.0 110.67 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.7 t -66.56 -36.71 83.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.344 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.639 ' HD2' ' HB2' ' A' ' 23' ' ' GLU . 52.3 ttt180 -82.67 -8.54 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.222 0.534 . . . . 0.0 110.76 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 55.1 tp -60.11 -53.92 60.39 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.914 -178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 37.2 Cg_endo -66.11 -15.69 49.43 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.971 1.781 . . . . 0.0 113.061 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.56 6.1 10.74 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.889 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -69.38 130.57 90.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.1 Cg_exo -50.14 130.56 28.51 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.191 2.594 . . . . 0.0 113.102 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.639 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . 38.6 tt0 -52.4 -43.83 64.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.445 -178.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.07 91.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.71 -45.56 91.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.98 -39.43 94.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.744 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.85 63.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.3 m -65.19 -33.06 75.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.485 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.67 -36.27 57.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.272 . . . . 0.0 111.257 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -93.12 -23.05 18.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.555 -172.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.39 24.94 6.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.748 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.24 137.94 34.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.791 0.329 . . . . 0.0 110.447 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.3 pt -113.06 136.48 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.518 HG12 HG23 ' A' ' 2' ' ' THR . 53.1 mt -114.83 100.12 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 38' ' ' ALA . 22.0 pt -95.57 142.98 25.34 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -62.84 -44.66 15.68 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.252 1.968 . . . . 0.0 111.467 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.05 133.74 2.43 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.718 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . 175.22 -97.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.016 0.526 . . . . 0.0 110.386 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -176.61 159.47 1.87 Allowed 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.685 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 67.0 m -124.81 112.08 27.23 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 43' ' ' ASP . 10.8 Cg_endo -55.99 151.69 40.56 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.969 2.446 . . . . 0.0 112.353 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.84 36.39 0.73 Allowed Glycine 0 C--O 1.228 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.565 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 41' ' ' PRO . 24.5 t70 -122.34 -32.27 3.67 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.41 26.24 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.413 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.18 86.3 2.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.871 0.367 . . . . 0.0 111.644 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 8.5 m120 . . . . . 0 C--O 1.244 0.766 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.539 HG22 HG23 ' A' ' 34' ' ' ILE . 12.0 t . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 m -72.44 120.99 18.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.587 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.21 130.81 43.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 79.2 m -97.79 160.85 27.55 Favored Pre-proline 0 C--N 1.32 -0.717 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.271 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 6' ' ' SER . 81.5 Cg_exo -51.24 -76.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 123.122 2.548 . . . . 0.0 114.237 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 7.8 t -117.43 177.97 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.444 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.64 HG13 HD22 ' A' ' 46' ' ' ASN . 3.8 mp -57.65 -46.11 86.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.366 -170.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -59.51 -40.16 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.948 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 12.2 tpt180 -67.03 -38.04 85.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.116 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.4 t -62.08 -49.59 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.991 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.75 -36.09 80.0 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.08 -49.03 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.2 -40.09 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 11' ' ' SER . 96.2 t -64.7 -36.53 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -65.14 -39.07 92.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 13.4 ttp85 -78.85 -16.47 57.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.423 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 52.6 tp -54.24 -52.25 70.52 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 26.4 Cg_endo -62.33 -16.26 50.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.695 2.263 . . . . 0.0 113.032 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.15 26.81 2.85 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.901 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 32.9 m -92.92 129.06 41.11 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.657 0.265 . . . . 0.0 110.543 177.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 43.8 Cg_exo -58.28 154.45 40.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.445 2.763 . . . . 0.0 113.219 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 4.9 mt-10 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.678 -176.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.45 75.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.599 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 25' ' ' LEU . 4.0 mm? -68.36 -41.31 80.86 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.07 0.462 . . . . 0.0 110.876 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -49.06 77.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -61.81 -36.18 80.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 111.198 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -78.07 -37.6 46.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.472 -174.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 t -94.87 -6.03 43.63 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.259 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.1 35.61 26.8 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.44 153.52 18.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 pt -116.82 149.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.907 -170.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 HG22 ' A' ' 1' ' ' THR . 68.3 mt -135.87 131.79 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 pt -118.88 158.16 48.46 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.55 -34.85 73.89 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.81 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.54 142.65 31.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.349 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.99 47.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 0.0 111.085 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.3 m -149.77 132.78 16.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.481 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.44 119.79 51.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.24 145.97 97.41 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.965 2.443 . . . . 0.0 112.273 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.56 65.38 3.68 Favored Glycine 0 CA--C 1.51 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.517 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -157.12 -37.23 0.07 Allowed 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.11 19.93 16.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.009 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 88.83 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.809 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.64 HD22 HG13 ' A' ' 7' ' ' ILE . 16.1 t-20 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.572 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -91.56 126.91 36.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.129 0.49 . . . . 0.0 110.963 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -125.96 111.72 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.206 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.3 m -99.69 159.0 31.12 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.23 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.68 -144.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.415 2.743 . . . . 0.0 112.382 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -48.76 154.94 0.63 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.163 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mt -52.1 -34.83 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.727 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.16 -36.24 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.438 ' HB1' HG21 ' A' ' 30' ' ' THR . . . -68.95 -31.27 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 -178.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 10' ' ' ARG . 2.8 tpp85 -58.05 -47.44 83.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -64.46 -43.44 94.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.152 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.46 -39.77 94.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.38 -41.49 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.614 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -30.07 70.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.826 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.17 -39.45 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.656 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 43.9 t -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 17.1 ttp180 -84.69 -3.41 58.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.603 0.24 . . . . 0.0 111.337 -174.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.519 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 61.3 tp -65.69 -51.16 51.38 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 3.4 Cg_exo -76.06 22.73 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.46 2.107 . . . . 0.0 112.884 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.76 30.33 59.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.287 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 23.2 m -84.82 136.17 39.28 Favored Pre-proline 0 C--N 1.318 -0.786 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.89 136.04 35.99 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.999 2.466 . . . . 0.0 112.938 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -71.52 -35.05 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.827 -174.64 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.18 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -66.94 -44.69 79.98 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.0 m -67.2 -29.83 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.98 40.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 0.0 110.476 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 m -64.97 -36.82 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -63.53 -36.13 82.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.527 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.438 HG21 ' HB1' ' A' ' 9' ' ' ALA . 1.8 m -98.46 -11.2 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.257 0.551 . . . . 0.0 110.715 -175.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.68 26.49 58.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.088 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -95.22 138.82 32.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 pt -115.01 162.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.027 0.442 . . . . 0.0 111.455 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.27 124.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.428 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.482 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.0 pt -110.65 129.56 23.83 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 7.4 Cg_exo -74.62 -10.58 21.94 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.854 2.369 . . . . 0.0 112.22 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.91 178.72 40.5 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.96 143.29 0.07 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.642 0.777 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -71.55 152.39 43.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.806 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -92.12 123.3 63.09 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.714 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.06 142.44 98.4 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.835 2.357 . . . . 0.0 111.515 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.7 -23.14 42.92 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.491 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.62 -33.1 74.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -117.6 9.97 13.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.25 87.4 3.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.876 -177.212 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.55 0.214 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -92.74 124.2 36.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.837 0.351 . . . . 0.0 110.494 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 63.9 m -117.67 107.59 14.4 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.95 179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.446 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 92.6 m -94.37 164.42 20.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 111.256 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 9' ' ' ALA . 29.0 Cg_endo -67.63 -154.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.867 2.378 . . . . 0.0 111.848 171.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -45.06 154.68 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.341 0.591 . . . . 0.0 112.53 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -49.44 -38.1 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.823 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.68 -46.98 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.214 0.53 . . . . 0.0 110.288 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' HB3' HG22 ' A' ' 30' ' ' THR . . . -65.7 -35.05 79.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 176.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' HB3' ' A' ' 46' ' ' ASN . 41.4 ttt180 -57.49 -46.47 83.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.165 0.507 . . . . 0.0 110.219 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.449 ' O ' HG22 ' A' ' 15' ' ' VAL . 24.5 m -62.68 -41.04 98.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.873 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -60.93 -43.09 99.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.315 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.61 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.088 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -63.69 -44.72 92.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.508 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 11' ' ' SER . 98.0 t -67.88 -38.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.8 t -58.39 -43.79 88.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 21' ' ' THR . 35.7 ttt180 -83.32 -10.86 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.491 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.84 -51.02 83.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.806 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 73.1 Cg_endo -75.16 18.65 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 122.288 1.992 . . . . 0.0 113.785 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.05 40.77 6.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.817 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 4.1 m -101.01 135.41 19.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.02 131.38 25.59 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 0.0 112.845 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -44.25 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.025 -177.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.67 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.46 -48.36 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.007 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -67.66 -37.23 82.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.016 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.85 78.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.72 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.24 -36.32 83.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.02 0.438 . . . . 0.0 110.741 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 9' ' ' ALA . 1.9 m -95.77 -23.59 16.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.578 -172.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.15 37.04 4.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.844 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.91 140.67 29.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.672 -0.311 . . . . 0.0 110.243 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -106.91 139.4 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 0.0 110.591 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 34' ' ' ILE . 4.7 mp -103.91 134.75 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.671 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 pt -124.83 142.61 41.4 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.37 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.23 -28.04 48.14 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.42 2.08 . . . . 0.0 111.51 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.52 -140.24 6.42 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 39' ' ' THR . . . 69.31 22.48 6.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.464 0.705 . . . . 0.0 111.539 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 27.2 m 64.06 130.75 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.733 0.778 . . . . 0.0 112.999 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.9 t -90.08 125.98 58.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.731 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.9 Cg_exo -58.8 149.2 79.3 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.697 2.265 . . . . 0.0 111.987 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.8 58.08 Favored Glycine 0 CA--C 1.516 0.128 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.62 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.62 -23.89 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.223 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 86.3 m-85 -124.08 17.29 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.976 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.99 84.3 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.627 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 10' ' ' ARG . 49.4 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.02 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.524 ' HB ' HG13 ' A' ' 35' ' ' ILE . 3.7 m . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m -130.74 130.28 43.58 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.59 116.53 13.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 67.7 m -100.4 161.61 23.49 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.212 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HA ' ' HB3' ' A' ' 44' ' ' TYR . 24.5 Cg_exo -66.26 -150.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.832 2.355 . . . . 0.0 110.782 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -38.94 136.97 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.71 0.404 . . . . 0.0 111.127 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -44.53 -37.01 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.496 -171.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -49.72 -46.17 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.889 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.8 78.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.28 0.562 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 57.7 ttt180 -67.87 -41.1 83.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.882 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 m -61.92 -43.85 97.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -64.46 -45.57 86.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.949 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.32 -45.37 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -63.02 -46.15 88.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.2 -176.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.53 -36.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.876 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.503 ' O ' ' HB ' ' A' ' 21' ' ' THR . 54.0 t -65.19 -40.4 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -83.81 10.32 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.034 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.5 tm? -80.59 -55.01 0.75 Allowed Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.449 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 5.0 Cg_exo -77.8 31.48 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.548 2.165 . . . . 0.0 113.439 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.29 28.91 61.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 32.3 m -91.22 131.71 36.0 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -44.82 126.88 7.78 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.22 2.613 . . . . 0.0 113.411 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.17 -47.33 72.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.86 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.42 84.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.811 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.23 -38.99 92.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.082 0.468 . . . . 0.0 110.454 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.6 m -77.26 -29.7 54.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.481 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.75 -45.34 71.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.752 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -66.62 -26.02 66.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.438 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -78.47 -33.56 48.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.456 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -95.11 -35.7 11.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.016 -176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.81 25.82 7.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.517 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.4 t -96.68 148.4 22.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.0 pt -110.41 146.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.223 0.535 . . . . 0.0 111.824 -175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.4 mt -119.76 122.08 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.585 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.524 HG13 ' HB ' ' A' ' 1' ' ' THR . 21.1 pt -134.04 153.57 79.77 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.658 -175.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -91.82 77.4 0.48 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.493 2.795 . . . . 0.0 111.569 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.82 4.48 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.293 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.17 -32.69 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 t -130.34 -173.78 3.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 120.737 0.303 . . . . 0.0 110.681 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.4 m -117.02 157.5 46.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' HE1' ' A' ' 44' ' ' TYR . 21.1 Cg_exo -66.19 176.74 3.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.892 2.395 . . . . 0.0 112.223 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.29 -28.98 23.57 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.448 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.62 -52.05 59.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.231 0.538 . . . . 0.0 110.192 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.573 ' HE1' ' HG2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -129.88 99.54 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.771 177.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.81 86.32 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.758 173.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.124 -179.27 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.538 ' HB ' HG13 ' A' ' 35' ' ' ILE . 5.3 m . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -123.48 138.94 54.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.096 0.474 . . . . 0.0 109.997 174.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.6 m -134.9 145.71 48.5 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.222 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 m -127.92 150.34 73.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -73.24 150.85 48.09 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.318 2.012 . . . . 0.0 112.181 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t 50.96 175.95 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.658 -1.156 . . . . 0.0 112.604 -173.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 46' ' ' ASN . 27.1 mm -82.72 -32.0 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.309 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.31 -32.57 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.502 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.553 ' HB3' HG23 ' A' ' 30' ' ' THR . . . -66.55 -34.32 77.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.178 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.807 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.469 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.9 p -69.17 -38.67 78.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.592 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -62.93 -37.61 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.006 0.431 . . . . 0.0 110.556 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.51 -41.66 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.402 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -63.96 -39.32 93.87 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.747 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 11' ' ' SER . 92.4 t -61.47 -38.92 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.931 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 11.9 t -53.8 -46.57 71.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.0 111.88 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -92.68 11.47 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.962 0.41 . . . . 0.0 111.514 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.529 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.0 tt -75.26 -55.04 2.3 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.543 177.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.529 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 73.1 Cg_endo -77.43 -41.17 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.642 1.561 . . . . 0.0 111.952 176.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.83 46.22 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.984 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.457 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 44.1 m -93.16 138.13 23.32 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.614 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 82.7 Cg_exo -46.56 121.05 4.37 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.809 2.339 . . . . 0.0 113.414 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -51.59 -50.64 59.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.257 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.48 97.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.533 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.7 tt -55.31 -45.9 76.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 110.49 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.0 m -74.09 -34.17 63.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.242 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.35 65.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 m -63.04 -40.81 98.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.39 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -81.85 -38.71 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 0.0 110.75 -174.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.553 HG23 ' HB3' ' A' ' 9' ' ' ALA . 4.2 m -81.4 -5.78 58.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.499 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.79 36.46 52.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.394 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.09 143.87 25.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -98.1 155.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.71 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -126.63 109.36 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.538 HG13 ' HB ' ' A' ' 1' ' ' THR . 18.4 pt -117.46 134.13 23.17 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.321 176.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.77 -27.96 81.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.975 2.45 . . . . 0.0 112.708 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.42 176.48 32.21 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.44 152.76 0.13 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.8 t -100.14 156.46 17.18 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.142 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.738 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 60.6 m -85.29 143.69 39.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.618 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.06 152.88 72.88 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.689 2.26 . . . . 0.0 111.579 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.27 -22.23 62.92 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 113.685 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.57 -38.88 92.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.428 . . . . 0.0 111.02 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.14 -39.07 8.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.504 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.738 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -79.1 110.06 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 110.504 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' A' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.804 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.609 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 79.3 m . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.448 HG22 ' SG ' ' A' ' 32' ' ' CYS . 29.8 m -114.07 124.72 52.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.585 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.3 m -131.5 128.56 39.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -114.14 152.96 46.33 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 3.1 Cg_exo -81.29 164.89 19.15 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.731 2.287 . . . . 0.0 111.516 172.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t 54.98 121.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.181 0.926 . . . . 0.0 113.034 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.69 -30.86 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.386 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.07 -42.93 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 5' ' ' PRO . . . -65.85 -42.79 90.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HA ' ' HB3' ' A' ' 13' ' ' PHE . 9.5 tmm_? -70.25 -26.06 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.863 0.363 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -60.76 -55.32 34.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.27 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -68.94 -27.16 65.5 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.595 0.236 . . . . 0.0 110.501 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' HB2' HG22 ' A' ' 30' ' ' THR . 67.3 t80 -58.21 -47.49 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 110.749 173.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -66.91 -44.75 79.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.81 -28.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.521 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -64.65 -37.53 87.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.384 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -83.29 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.686 0.279 . . . . 0.0 111.587 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -63.64 -51.4 66.39 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.4 Cg_exo -71.42 2.73 4.18 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.586 2.191 . . . . 0.0 113.036 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.49 25.14 12.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.713 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -84.33 130.26 54.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 7.0 Cg_endo -50.53 138.09 39.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.311 2.674 . . . . 0.0 112.994 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.67 -44.92 93.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.219 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.333 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 1.3 tt -58.36 -54.91 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.6 m -60.74 -33.21 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.423 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.79 89.8 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.871 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.5 m -67.06 -31.26 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.342 0.591 . . . . 0.0 110.653 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -75.32 -25.04 57.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.47 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 13' ' ' PHE . 7.5 p -105.34 -4.06 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.19 37.68 59.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.604 -1.284 . . . . 0.0 110.61 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.9 t -99.95 153.67 19.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.606 -0.797 . . . . 0.0 110.306 -173.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.2 pt -113.76 143.53 23.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 111.583 -176.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.32 103.37 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.705 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 pt -104.58 150.9 39.05 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.41 -28.5 46.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.302 2.668 . . . . 0.0 112.432 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.79 156.67 49.09 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.864 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.609 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -98.82 12.84 34.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.05 0.452 . . . . 0.0 111.326 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.3 m -152.83 128.11 9.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.317 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 m -101.7 147.55 34.01 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.237 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.04 150.17 85.51 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.565 2.177 . . . . 0.0 111.307 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.46 -11.12 55.83 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.842 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.62 -29.51 70.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.697 0.399 . . . . 0.0 111.388 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -141.31 30.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.667 -173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.99 112.88 13.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 0.0 111.715 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.602 175.222 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 m -92.49 124.58 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.797 0.332 . . . . 0.0 110.291 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -129.68 141.86 50.83 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -109.65 156.08 40.3 Favored Pre-proline 0 C--N 1.319 -0.73 0 O-C-N 122.139 -0.35 . . . . 0.0 110.377 -177.413 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -82.19 153.56 16.46 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.536 2.157 . . . . 0.0 111.721 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t 56.78 152.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.911 -1.04 . . . . 0.0 113.562 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm -70.68 -32.22 48.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.117 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.28 -39.82 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.964 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.04 84.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.234 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.59 -50.17 74.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.883 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.469 ' O ' HG21 ' A' ' 15' ' ' VAL . 18.0 m -60.6 -38.0 83.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.337 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -72.93 -33.64 66.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.111 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -63.78 -41.11 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.031 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.97 -39.56 90.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 11' ' ' SER . 68.6 t -61.38 -37.06 76.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -72.9 -36.8 67.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.9 tpt180 -75.55 -27.28 58.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.428 -176.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 tp -52.74 -53.09 58.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.86 -4.99 15.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.656 1.57 . . . . 0.0 113.322 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.19 49.64 1.7 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.564 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -101.73 133.68 20.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 143.47 60.87 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.932 2.422 . . . . 0.0 112.042 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.86 -33.79 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.96 88.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.07 0.462 . . . . 0.0 110.458 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.48 -47.65 75.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.17 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.39 -47.09 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.63 -37.47 65.69 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -67.6 -27.98 67.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.226 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -86.56 -37.42 18.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.648 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.66 -24.43 29.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.019 0.438 . . . . 0.0 111.598 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.63 31.12 8.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.248 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.3 m -83.97 150.2 25.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 pt -98.78 136.94 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 0.0 110.13 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -110.78 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.144 0.497 . . . . 0.0 110.086 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.1 pt -114.09 150.89 44.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.545 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.46 -19.92 36.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.032 2.488 . . . . 0.0 111.904 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.49 152.25 52.56 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.75 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.874 0.369 . . . . 0.0 110.611 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.1 m -102.4 115.7 31.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.02 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 97.5 m -90.61 132.42 35.15 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 38.9 Cg_exo -58.97 138.14 83.88 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.511 2.141 . . . . 0.0 111.296 177.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.67 -26.28 38.81 Favored Glycine 0 C--N 1.329 0.19 0 O-C-N 123.609 0.568 . . . . 0.0 112.876 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.86 -28.93 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.732 0.413 . . . . 0.0 111.378 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -136.8 18.81 3.05 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.015 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.64 94.02 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.931 0.396 . . . . 0.0 111.967 -175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 14.4 m-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.215 -0.898 . . . . 0.0 108.908 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -121.97 148.57 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.996 0.427 . . . . 0.0 110.79 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -115.38 129.58 56.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.606 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.9 m -111.14 118.54 47.63 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.747 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HB2' ' H ' ' A' ' 6' ' ' SER . 50.9 Cg_exo -60.83 -70.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.382 2.721 . . . . 0.0 112.175 173.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.412 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 42.9 t -72.94 140.28 47.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.093 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 46' ' ' ASN . 50.9 mt -70.97 -24.75 24.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.525 0.679 . . . . 0.0 109.742 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.18 -32.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.9 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.23 72.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.053 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -55.86 -51.73 66.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.24 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -64.14 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.748 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -62.01 -39.45 92.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.564 0.221 . . . . 0.0 111.315 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 56.3 t80 -61.62 -45.59 93.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.66 -34.96 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.671 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.75 -37.41 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.113 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.91 -43.62 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.602 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 21' ' ' THR . 14.3 ttp180 -85.67 -8.32 58.28 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.664 -176.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.543 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.8 tm? -54.46 -50.86 82.83 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.634 -178.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.3 Cg_exo -71.51 7.31 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.268 1.978 . . . . 0.0 113.144 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.75 34.16 8.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.662 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 39.6 m -89.19 133.57 34.83 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -48.27 132.37 23.69 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.328 2.686 . . . . 0.0 112.588 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.488 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 9.8 pt-20 -59.42 -35.06 73.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.221 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 34' ' ' ILE . . . -60.15 -46.73 88.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.025 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.07 -42.78 95.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.413 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -75.9 -40.69 53.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.444 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.21 -56.07 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.392 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.1 m -61.56 -29.76 70.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.686 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.12 -37.1 34.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -87.63 -39.22 15.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 -173.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 31.72 0.7 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.224 -0.989 . . . . 0.0 113.058 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -113.32 142.96 45.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.7 pt -98.44 147.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.482 0.182 . . . . 0.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 24' ' ' ALA . 54.2 mt -114.48 135.08 55.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.079 0.466 . . . . 0.0 110.721 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 pt -127.93 153.78 78.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.028 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.31 40.78 0.63 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.809 2.339 . . . . 0.0 112.507 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.29 153.64 22.01 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.764 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.44 1.53 54.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.861 0.363 . . . . 0.0 111.24 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -132.07 146.4 52.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.4 m -110.24 149.66 40.44 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.114 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 13.3 Cg_endo -58.43 141.18 96.93 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.811 2.341 . . . . 0.0 111.704 174.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.47 -40.2 76.67 Favored Glycine 0 CA--C 1.518 0.241 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.199 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.57 -31.92 72.81 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 69.5 m-85 -104.22 22.57 14.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 -176.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.24 85.42 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.302 0.573 . . . . 0.0 109.767 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.416 ' HB3' HG12 ' A' ' 7' ' ' ILE . 23.9 m-80 . . . . . 0 C--O 1.242 0.69 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.051 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.499 ' H1 ' HG13 ' A' ' 35' ' ' ILE . 28.1 m . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.549 HG23 HG12 ' A' ' 34' ' ' ILE . 7.2 m -74.96 120.8 20.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.783 0.325 . . . . 0.0 110.294 176.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.02 122.3 37.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.9 m -104.2 156.44 35.75 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 120.717 0.294 . . . . 0.0 110.762 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 47.2 Cg_endo -73.07 -154.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.826 2.351 . . . . 0.0 111.737 172.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -31.49 135.24 0.07 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.022 0.826 . . . . 0.0 112.415 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -45.62 -38.07 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -51.98 -32.11 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.082 0.467 . . . . 0.0 111.443 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.67 75.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 10' ' ' ARG . 19.3 ttm-85 -60.52 -39.15 86.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.913 0.387 . . . . 0.0 110.196 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.488 ' O ' HG22 ' A' ' 15' ' ' VAL . 5.3 m -57.72 -57.7 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.302 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.5 -37.34 86.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.56 -41.38 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.231 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -71.28 -38.39 71.84 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 122.205 -0.309 . . . . 0.0 111.224 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 11' ' ' SER . 58.8 t -64.02 -34.74 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.066 0.46 . . . . 0.0 110.246 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 47.4 t -65.44 -34.41 78.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.578 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 68.2 mtm180 -84.39 -6.89 59.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -60.19 -50.75 84.61 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.509 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.8 Cg_exo -71.54 -6.17 18.58 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.112 1.875 . . . . 0.0 112.305 178.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.77 15.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.641 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -71.54 134.15 84.48 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.21 142.9 66.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.991 2.46 . . . . 0.0 112.858 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 40.8 mt-10 -62.43 -38.51 90.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.61 81.01 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 111.068 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.88 -55.02 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.249 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.5 m -58.8 -41.65 87.24 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.937 0.399 . . . . 0.0 111.072 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 m -81.3 -32.69 33.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.35 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 -42.89 16.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.51 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -88.27 -51.99 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.217 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.83 85.69 0.28 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 t -164.92 158.05 16.75 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.63 147.68 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.314 0.578 . . . . 0.0 111.131 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.549 HG12 HG23 ' A' ' 2' ' ' THR . 73.5 mt -121.89 107.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.499 HG13 ' H1 ' ' A' ' 1' ' ' THR . 23.0 pt -86.66 146.33 41.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.247 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.33 -39.62 75.61 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.242 2.628 . . . . 0.0 113.005 -173.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.3 176.88 25.93 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.26 141.08 0.06 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.61 0.719 . . . . 0.0 111.14 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 169.31 18.49 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.403 178.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.1 m -81.25 117.67 69.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.99 155.16 57.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.488 2.125 . . . . 0.0 111.625 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.09 -23.85 53.22 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.775 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.0 -38.91 90.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.115 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -128.61 35.38 4.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.615 0.721 . . . . 0.0 109.993 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.91 84.95 5.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.245 178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.027 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 t -96.75 136.58 37.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -127.33 108.86 11.22 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.9 m -94.23 167.88 12.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.144 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -66.12 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.399 2.066 . . . . 0.0 112.261 172.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -59.32 170.75 0.9 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.93 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.55 -49.22 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.983 -172.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.3 t -63.79 -47.54 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 110.997 -175.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.72 90.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.833 178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.695 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 79.0 ttt180 -62.65 -38.06 88.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 m -65.14 -41.15 95.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.576 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -58.78 -39.85 82.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.6 t80 -61.54 -42.01 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.659 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -72.03 -43.14 65.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.98 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.83 -35.87 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.065 0.459 . . . . 0.0 110.973 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -65.24 -23.67 67.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.66 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 78.8 mtm180 -92.65 10.61 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.096 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -76.49 -52.44 2.25 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 87.0 Cg_endo -81.14 -168.33 0.61 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.198 1.932 . . . . 0.0 112.784 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.48 55.73 4.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.124 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -112.63 130.11 23.75 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -50.88 124.16 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.063 2.509 . . . . 0.0 112.936 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.66 ' HG3' ' HD3' ' A' ' 17' ' ' ARG . 35.6 tt0 -57.47 -40.38 78.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.93 79.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.83 -47.06 82.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.706 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.2 m -60.52 -37.99 82.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.311 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -62.14 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -62.04 -30.52 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -73.2 -26.09 61.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.065 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.3 p -100.28 -9.32 22.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.369 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.99 19.42 63.06 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.374 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -96.02 136.79 36.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -108.45 140.29 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.15 100.13 10.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.687 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 pt -99.19 150.99 37.23 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.295 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.43 -10.81 28.82 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.828 2.352 . . . . 0.0 111.632 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.45 173.95 39.36 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.937 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.8 -35.68 7.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.559 0.219 . . . . 0.0 111.277 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -99.39 132.76 44.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.213 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.3 m -83.14 150.58 61.44 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.677 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.449 ' HB2' ' HD1' ' A' ' 44' ' ' TYR . 52.3 Cg_exo -56.24 147.44 66.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 111.932 174.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.44 88.02 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.749 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.22 -37.25 69.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 0.0 110.285 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.449 ' HD1' ' HB2' ' A' ' 41' ' ' PRO . 93.2 m-85 -89.88 37.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.805 -176.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.78 87.44 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 111.355 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.695 ' OXT' ' HD2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.338 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -126.67 148.84 49.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.577 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.493 ' O ' HG12 ' A' ' 33' ' ' ILE . 97.0 m -132.68 120.35 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.424 ' SG ' ' HD2' ' A' ' 10' ' ' ARG . 95.8 m -98.33 142.74 25.08 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.929 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.506 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 41.7 Cg_exo -44.06 -71.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.899 3.066 . . . . 0.0 114.655 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t -114.12 169.74 8.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.766 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.659 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.0 mt -51.54 -44.65 34.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.169 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.4 -39.11 84.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.314 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.46 92.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 11.7 tpt180 -68.77 -36.88 78.88 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 t -61.68 -47.98 82.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.076 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -56.43 -40.76 75.28 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.343 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.25 -39.78 88.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.382 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -43.75 59.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.645 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.81 -33.07 56.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.38 -23.73 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.479 . . . . 0.0 111.033 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 9.2 mmm180 -87.83 0.63 55.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.764 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -74.38 -54.08 3.32 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 -179.007 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 8.1 Cg_exo -73.6 -4.26 15.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.389 2.059 . . . . 0.0 112.557 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.58 47.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.237 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -67.18 129.61 93.83 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.81 134.9 67.44 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.336 2.69 . . . . 0.0 112.919 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -64.73 -33.4 75.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.818 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.51 69.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.203 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 35.5 tp -85.68 -44.81 12.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.58 -39.19 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.09 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.17 -60.32 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -69.57 -34.93 74.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.335 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 1.8 t80 -63.13 -36.94 85.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.068 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.1 -32.71 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.361 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.75 3.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.515 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -97.93 149.37 22.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 3' ' ' CYS . 37.8 pt -103.51 144.35 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.987 -171.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.2 mt -99.39 120.26 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.159 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.423 HD13 ' SG ' ' A' ' 3' ' ' CYS . 48.7 pt -113.29 150.71 43.49 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.28 -179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.99 -53.09 6.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.799 2.333 . . . . 0.0 111.943 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.66 141.99 3.35 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.116 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 76.56 -43.62 0.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 m -78.44 95.2 5.06 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.217 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -137.17 127.46 15.87 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.48 138.45 65.95 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.967 2.445 . . . . 0.0 112.788 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.45 51.94 3.73 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.603 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -170.31 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 13.5 m-85 -94.75 14.66 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.2 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.61 87.76 7.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.468 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.659 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 3.8 t30 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.638 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 120.816 0.341 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.406 HG21 HG12 ' A' ' 34' ' ' ILE . 7.1 m -102.82 126.49 49.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.189 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.98 116.57 16.58 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.0 m -94.94 161.9 26.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.734 0.302 . . . . 0.0 111.378 -174.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 44.8 Cg_exo -45.12 -66.65 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.706 2.937 . . . . 0.0 113.55 175.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -127.97 164.74 21.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.353 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.08 -23.89 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.568 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.77 -38.6 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.46 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.05 90.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -58.4 -44.87 89.16 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 109.981 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -63.11 -49.49 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.618 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -64.84 -30.95 71.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.924 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -58.37 -48.55 80.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -64.12 -40.29 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.444 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.9 t -67.87 -40.15 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.272 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.547 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -64.95 -41.6 95.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.01 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 37.1 ttt180 -80.07 -15.49 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.371 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.578 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.9 tt -57.37 -51.47 81.47 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.985 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.578 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 9.9 Cg_exo -72.92 8.21 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.636 2.224 . . . . 0.0 113.132 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.15 24.97 9.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.531 -0.843 . . . . 0.0 113.487 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -88.31 130.2 46.73 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 117.123 0.461 . . . . 0.0 110.061 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.53 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 11.0 Cg_endo -54.78 138.15 76.07 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.268 2.645 . . . . 0.0 112.769 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.572 ' HG3' ' HD2' ' A' ' 17' ' ' ARG . 3.2 mp0 -46.04 -55.9 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.624 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.19 72.75 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.948 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -63.33 -44.62 94.37 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.8 m -69.46 -34.63 74.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.72 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.674 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.6 m -61.25 -43.81 98.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.331 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -73.01 -31.41 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -175.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -83.77 -4.92 59.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.35 29.92 69.71 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.245 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 19.1 t -87.06 153.03 21.85 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -118.1 146.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.464 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 HG12 HG21 ' A' ' 2' ' ' THR . 66.5 mt -121.73 102.99 12.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.689 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.7 pt -100.61 149.96 36.57 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.9 -26.91 43.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.097 2.531 . . . . 0.0 112.189 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.6 -172.97 39.72 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.674 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.28 8.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.192 0.52 . . . . 0.0 110.409 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -80.99 71.57 7.96 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.192 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -108.24 115.95 57.45 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.646 171.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.77 156.82 55.47 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.0 56.19 2.69 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.548 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -162.83 -40.7 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -94.23 -22.21 18.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.932 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -77.79 96.91 5.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.719 176.54 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.458 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 87.6 m . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.77 0.319 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -88.11 128.55 35.43 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -129.83 113.69 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 109.944 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 72.4 m -95.62 152.84 39.43 Favored Pre-proline 0 C--N 1.316 -0.885 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.585 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.55 -74.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 124.006 3.138 . . . . 0.0 114.471 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -135.56 -172.06 2.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.89 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.734 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 63.7 mt -55.67 -43.48 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.313 -172.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.01 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.445 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.07 99.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.644 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 23.4 ttm180 -62.97 -41.78 99.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' HG21 ' A' ' 15' ' ' VAL . 57.2 m -59.99 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.688 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -71.09 -31.77 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.578 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.51 -45.09 95.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.136 0.493 . . . . 0.0 109.898 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -63.21 -38.72 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 11' ' ' SER . 86.5 t -63.83 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 t -65.46 -46.33 80.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.529 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 21' ' ' THR . 39.8 ttt-85 -82.91 -7.93 59.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.462 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -49.9 -52.26 53.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 44.1 Cg_endo -70.9 2.52 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.356 2.037 . . . . 0.0 113.559 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.27 6.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.861 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.625 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 6.3 m -80.28 138.24 52.28 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.82 145.68 71.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.06 -45.85 86.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.996 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.56 85.14 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.112 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.76 -55.02 38.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.804 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.4 m -66.4 -28.37 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.534 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.28 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.056 0.455 . . . . 0.0 109.982 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -78.12 -29.03 48.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.528 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.83 -42.55 81.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -102.59 -20.3 14.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 111.456 -171.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.21 34.72 6.01 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.1 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.3 t -99.84 146.65 26.37 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -110.95 149.06 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.237 0.541 . . . . 0.0 111.737 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.0 mm -106.71 138.96 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.368 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.3 pt -127.07 143.04 45.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.494 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.51 -22.91 58.22 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.871 2.381 . . . . 0.0 111.807 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.57 -175.79 41.38 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.677 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -113.62 -23.69 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.393 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -106.96 117.16 33.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.024 0.44 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.96 136.55 50.58 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.442 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.52 118.47 5.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.565 2.177 . . . . 0.0 111.195 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' HA2' ' HB1' ' A' ' 45' ' ' ALA . . . -59.21 -20.09 48.81 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 113.428 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.39 -24.46 66.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.596 0.359 . . . . 0.0 110.57 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -145.12 36.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -117.74 100.14 7.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.734 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 1.9 t30 . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.758 0.313 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.49 HG21 ' SG ' ' A' ' 32' ' ' CYS . 10.3 m -101.51 131.16 47.82 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -132.67 123.62 26.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.13 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.0 m -103.7 163.65 16.97 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.54 -73.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.302 2.668 . . . . 0.0 113.584 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -92.78 161.25 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.263 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.478 ' CG1' HD22 ' A' ' 46' ' ' ASN . 59.2 mt -67.91 -40.67 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.095 0.474 . . . . 0.0 109.888 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.51 -34.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.608 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.81 84.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.626 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.97 -46.92 79.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.738 0.304 . . . . 0.0 110.606 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.503 ' O ' HG21 ' A' ' 15' ' ' VAL . 22.2 m -59.24 -48.56 81.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.11 -29.78 69.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.089 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HZ ' ' HB3' ' A' ' 23' ' ' GLU . 66.6 t80 -67.89 -38.34 82.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.074 0.464 . . . . 0.0 109.875 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.43 -30.35 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 11' ' ' SER . 80.4 t -60.05 -42.19 88.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.757 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 5.4 t -60.57 -47.34 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.179 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.891 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 29.9 mtp180 -82.85 10.4 7.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.515 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.7 tt -80.88 -57.64 0.57 Allowed Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 59.3 Cg_endo -72.72 -20.52 22.81 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.747 1.631 . . . . 0.0 112.045 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.32 63.12 0.49 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.426 -0.893 . . . . 0.0 112.438 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.757 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.5 m -117.37 134.91 23.06 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -50.31 134.62 38.27 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.306 2.671 . . . . 0.0 113.569 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.891 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 33.4 mt-10 -57.31 -50.32 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.353 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.26 78.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.395 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.2 -49.33 78.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.125 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -80.25 -41.98 24.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.014 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -34.68 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.759 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -66.23 -26.14 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -89.59 -37.34 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.666 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -19.41 57.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.367 . . . . 0.0 111.353 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.28 13.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.465 -0.874 . . . . 0.0 110.957 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 2' ' ' THR . 38.5 t -106.43 142.85 35.43 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 pt -103.71 141.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.324 0.583 . . . . 0.0 111.844 -172.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.95 115.76 48.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.885 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 pt -119.86 142.66 33.59 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.83 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 3.3 Cg_exo -77.2 74.32 5.11 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.717 2.278 . . . . 0.0 111.321 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.02 -148.26 6.42 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.839 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.99 19.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 110.91 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 m -124.87 93.61 3.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.102 0.477 . . . . 0.0 110.85 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.1 131.3 24.47 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.23 134.84 61.78 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.247 1.964 . . . . 0.0 111.048 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.99 -30.03 29.18 Favored Glycine 0 CA--C 1.521 0.43 0 O-C-N 123.387 0.429 . . . . 0.0 113.466 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.62 -21.98 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.91 26.34 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.204 0.526 . . . . 0.0 110.657 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.05 96.95 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.066 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.478 HD22 ' CG1' ' A' ' 7' ' ' ILE . 16.8 t-20 . . . . . 0 C--O 1.243 0.742 0 CA-C-O 118.255 -0.879 . . . . 0.0 109.534 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.583 ' HB ' HG22 ' A' ' 35' ' ' ILE . 27.8 m . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 m -108.88 128.87 55.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.806 0.336 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 82.9 m -130.97 142.03 50.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.086 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t -147.47 137.76 12.53 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 6.4 Cg_exo -73.3 156.05 50.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 111.191 175.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t 57.32 129.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.995 0.903 . . . . 0.0 112.721 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.675 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.1 mt -63.13 -28.09 44.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.506 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -67.95 -31.9 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.628 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.85 68.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.76 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -60.66 -41.19 94.5 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.714 0.292 . . . . 0.0 110.467 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.462 ' O ' HG21 ' A' ' 15' ' ' VAL . 13.2 t -58.12 -48.92 78.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.64 -33.54 76.14 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -60.26 -45.26 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.71 -41.8 68.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 11' ' ' SER . 93.4 t -63.81 -30.35 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 110.695 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.9 t -60.45 -33.28 72.33 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.611 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 59.9 mtp180 -88.9 -5.88 57.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.2 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.2 tp -65.95 -50.11 54.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.79 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.2 Cg_exo -71.62 -31.89 12.76 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.668 1.579 . . . . 0.0 111.791 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 73.32 0.16 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.324 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.9 m -135.17 136.13 24.09 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -51.75 140.44 46.93 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.347 2.698 . . . . 0.0 112.98 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.611 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -63.75 -42.12 97.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.332 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.09 99.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 0.0 110.402 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.5 -49.11 79.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.185 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -60.82 -44.63 96.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.26 82.54 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -69.43 -27.42 65.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 110.6 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -77.2 -35.85 55.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 p -88.97 -34.74 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.774 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.75 29.63 3.52 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.052 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.94 142.91 28.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.9 150.11 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.092 0.472 . . . . 0.0 111.189 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.97 112.19 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.428 0.632 . . . . 0.0 110.101 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.583 HG22 ' HB ' ' A' ' 1' ' ' THR . 4.4 tt -109.43 128.84 24.7 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.602 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.67 -9.73 19.92 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.457 2.104 . . . . 0.0 112.041 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -92.38 144.32 17.03 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.247 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 53.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.104 0.478 . . . . 0.0 111.598 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.2 m -154.68 125.44 7.06 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.7 t -119.74 136.99 25.14 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.699 0.285 . . . . 0.0 110.486 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -61.13 150.71 83.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.081 2.52 . . . . 0.0 111.971 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.52 -29.64 69.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.653 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -83.93 -10.89 57.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.99 0.424 . . . . 0.0 110.724 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.476 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 50.1 m-85 -113.76 14.26 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.647 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 46' ' ' ASN . . . -80.1 85.18 5.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.656 -175.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.675 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.5 t30 . . . . . 0 C--O 1.247 0.95 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.091 0.472 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.567 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.2 m -97.34 130.39 44.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.103 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m -126.31 114.62 18.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.529 ' HB2' ' OXT' ' A' ' 46' ' ' ASN . 59.5 m -105.16 160.28 26.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.03 -176.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -57.51 -113.55 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 123.647 2.898 . . . . 0.0 113.394 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 t -75.34 169.45 18.04 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 121.362 -0.836 . . . . 0.0 110.609 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.917 ' HA ' HD22 ' A' ' 46' ' ' ASN . 43.9 mt -58.68 -37.28 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.621 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -52.59 -40.44 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.474 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.74 -14.7 63.17 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.685 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -97.96 -40.83 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.953 0.406 . . . . 0.0 110.468 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -57.75 -39.62 77.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.51 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -83.56 -27.73 29.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.87 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -62.99 -41.36 99.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -67.18 -16.85 64.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.225 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.15 -46.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.91 -30.7 70.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.618 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 14.7 tpt180 -94.53 8.31 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 110.726 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -63.67 -52.05 61.47 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 93.2 Cg_endo -89.74 -166.72 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.744 1.629 . . . . 0.0 112.553 176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.11 58.11 3.98 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.42 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -106.18 134.87 19.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.597 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 94.3 Cg_exo -46.31 133.98 15.68 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.247 2.631 . . . . 0.0 112.812 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 6.5 mt-10 -74.38 -41.22 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 -173.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.27 83.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.872 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.3 tt -53.37 -55.88 21.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.204 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 m -66.37 -39.88 89.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.05 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.75 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.526 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.3 m -67.16 -29.58 69.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -71.51 -35.32 70.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.7 p -90.97 -28.88 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.92 24.65 8.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.605 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.567 ' SG ' HG22 ' A' ' 2' ' ' THR . 46.1 t -93.47 154.61 17.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -115.53 139.57 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.178 0.513 . . . . 0.0 111.543 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.499 HG12 HG21 ' A' ' 2' ' ' THR . 72.9 mt -111.37 112.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.896 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 pt -106.46 137.81 19.55 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.039 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.74 -18.17 62.88 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.992 2.462 . . . . 0.0 113.131 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.16 166.97 12.75 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.463 -0.399 . . . . 0.0 113.212 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.13 -23.04 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.911 0.386 . . . . 0.0 110.725 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -109.96 166.9 10.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.906 0.384 . . . . 0.0 110.55 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.4 t -152.38 128.05 5.02 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.54 135.46 66.52 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.046 2.497 . . . . 0.0 112.542 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.79 -28.13 65.23 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 113.566 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.93 -22.18 66.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.832 0.348 . . . . 0.0 111.402 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -132.39 23.65 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.701 . . . . 0.0 109.33 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.5 89.0 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.18 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.917 HD22 ' HA ' ' A' ' 7' ' ' ILE . 2.4 t30 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.116 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.714 0.293 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.633 ' HB ' HG12 ' A' ' 34' ' ' ILE . 5.4 t -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 38.8 m -125.26 131.83 53.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.846 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 89.2 m -115.76 154.32 48.08 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.494 -174.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.99 -71.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.261 2.641 . . . . 0.0 113.306 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -114.98 168.76 9.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.499 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.56 -28.52 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.425 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.28 -39.11 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -68.12 -35.61 78.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.7 ttm-85 -67.67 -36.74 81.27 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.217 0.532 . . . . 0.0 110.143 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 m -68.88 -41.77 77.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.923 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.44 -27.52 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.353 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.59 -51.58 66.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 110.654 175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.73 -43.77 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.044 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.4 t -63.29 -36.06 82.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.493 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 61.9 mtp180 -91.65 2.87 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 119.641 -0.218 . . . . 0.0 111.343 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.45 -36.65 33.65 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.207 1.938 . . . . 0.0 112.42 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.94 67.35 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.363 -0.923 . . . . 0.0 112.465 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 24.1 m -132.75 132.75 22.75 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' HD13 ' A' ' 25' ' ' LEU . 31.4 Cg_exo -59.27 143.11 99.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.799 2.333 . . . . 0.0 112.424 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 9.5 pt-20 -58.54 -32.66 69.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.553 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.98 91.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.49 HD13 ' HD2' ' A' ' 22' ' ' PRO . 39.1 mt -69.72 -34.86 74.45 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.5 m -66.88 -25.99 66.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.654 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -26.11 43.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.404 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -61.4 -53.67 53.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.809 -176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -77.22 -28.65 53.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -79.48 -27.12 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.84 26.37 27.03 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.734 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.3 m -87.78 136.87 32.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.942 0.401 . . . . 0.0 110.511 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.6 pt -108.99 136.15 45.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.633 HG12 ' HB ' ' A' ' 2' ' ' THR . 63.8 mt -118.25 127.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 110.773 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 pt -120.47 151.22 53.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.536 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.55 36.64 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.228 2.619 . . . . 0.0 112.804 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.89 146.67 18.5 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.81 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -78.0 172.93 12.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.208 0.528 . . . . 0.0 111.291 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -152.92 136.15 9.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.758 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.57 138.31 80.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.082 . . . . 0.0 111.545 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.33 -43.79 95.45 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.374 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.53 -46.1 80.78 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.86 0.362 . . . . 0.0 111.338 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.2 m-85 -92.52 10.21 31.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.89 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.78 86.7 7.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.963 0.411 . . . . 0.0 110.377 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -178.594 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.425 ' HB ' HG13 ' A' ' 35' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.821 0.343 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -107.86 109.64 21.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.182 0.515 . . . . 0.0 110.069 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.46 97.04 6.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.055 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.82 134.56 19.79 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.8 Cg_exo -81.18 165.11 19.27 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.678 2.252 . . . . 0.0 111.32 171.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t 57.24 126.34 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.922 0.868 . . . . 0.0 113.239 -177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.38 -28.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.496 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.0 -44.82 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 5' ' ' PRO . . . -66.36 -33.73 76.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -55.24 -46.97 76.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.236 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 t -65.18 -46.73 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.237 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -53.01 -47.46 68.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -58.52 -47.45 84.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.664 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.7 t -75.73 -27.47 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.029 0.442 . . . . 0.0 110.6 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.0 t -65.98 -19.81 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -85.88 2.17 47.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.006 0.431 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -79.04 -49.82 1.46 Allowed Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 176.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.4 Cg_exo -70.06 164.71 33.83 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.662 1.574 . . . . 0.0 112.114 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.22 48.65 3.4 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.999 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -107.39 145.95 32.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.67 134.12 62.36 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.79 2.326 . . . . 0.0 112.877 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -35.84 80.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.87 71.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.515 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -71.16 -44.96 64.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.6 -36.53 76.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.661 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -53.68 16.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.417 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -59.64 -40.32 87.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.77 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.84 -33.43 75.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 111.354 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.486 ' HB ' ' HB1' ' A' ' 9' ' ' ALA . 27.2 p -91.77 -9.46 43.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.29 64.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.684 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 t -88.57 143.57 26.87 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.4 pt -113.77 137.93 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.075 0.464 . . . . 0.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -109.94 107.39 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.752 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.425 HG13 ' HB ' ' A' ' 1' ' ' THR . 10.7 pt -119.63 131.35 24.42 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 10.1 Cg_exo -73.38 -15.1 25.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.3 177.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.06 169.16 25.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.41 144.79 0.07 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.542 0.687 . . . . 0.0 111.032 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -86.19 173.46 9.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.432 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.0 m -82.73 139.87 43.78 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.864 0.364 . . . . 0.0 111.278 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.12 147.82 91.78 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.627 2.218 . . . . 0.0 110.663 171.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.12 -54.23 27.15 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 121.316 -0.469 . . . . 0.0 113.499 -174.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.39 -8.87 58.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 0.0 111.505 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -107.71 9.0 29.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.207 0.527 . . . . 0.0 110.155 -174.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.95 88.56 2.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.5 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.806 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.458 0.17 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.765 HG21 HG12 ' A' ' 34' ' ' ILE . 3.4 m -79.69 111.11 15.67 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.8 m -131.49 109.16 10.08 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.682 0.753 . . . . 0.0 110.903 -173.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 75.2 m -105.75 167.11 10.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.829 -174.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 31.6 Cg_endo -66.57 -156.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.822 2.348 . . . . 0.0 111.842 170.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -38.96 137.67 0.64 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.649 0.593 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.5 mt -42.18 -41.04 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -172.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.4 -34.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 111.553 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.55 80.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.328 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 50.5 ttp85 -72.82 -26.59 61.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 0.0 110.15 -178.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 t -61.5 -45.19 95.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.468 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -66.3 -21.23 66.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.419 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 39.5 t80 -63.81 -38.48 91.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.355 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.9 OUTLIER -65.8 -28.57 69.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 178.438 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.28 -52.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.483 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 21' ' ' THR . 2.2 t -59.79 -41.55 91.43 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 120.991 0.424 . . . . 0.0 112.095 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.703 ' HD3' ' HB3' ' A' ' 23' ' ' GLU . 28.6 tpt85 -82.11 -6.96 59.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.358 -170.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.593 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.5 tp -68.71 -53.63 15.35 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 2.9 Cg_exo -76.86 0.94 9.13 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.373 2.049 . . . . 0.0 112.781 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.5 16.83 54.47 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.324 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 30.4 m -67.14 137.09 94.15 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.71 120.55 4.75 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.292 2.661 . . . . 0.0 113.117 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.703 ' HB3' ' HD3' ' A' ' 17' ' ' ARG . 9.8 pt-20 -71.34 -32.53 68.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.356 -175.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.61 78.44 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.63 -48.8 79.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.25 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.89 -37.24 85.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.95 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.5 . . . . 0.0 111.603 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -75.94 -28.35 57.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.037 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -91.6 -36.64 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -85.86 -17.11 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.055 0.455 . . . . 0.0 110.601 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 40.03 8.55 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.42 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -110.62 153.02 25.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.8 pt -115.35 133.83 60.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.183 0.516 . . . . 0.0 110.463 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.765 HG12 HG21 ' A' ' 2' ' ' THR . 62.4 mt -119.96 97.45 5.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.956 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 33.7 pt -113.8 154.87 45.76 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.891 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 1.5 Cg_endo -83.72 13.91 2.55 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.111 2.541 . . . . 0.0 111.642 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.08 176.18 18.34 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.291 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.38 -19.69 13.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.824 0.345 . . . . 0.0 111.087 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -78.28 92.62 4.53 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 111.558 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.7 m -111.57 136.72 21.05 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.37 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.39 163.96 34.46 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.568 2.179 . . . . 0.0 112.175 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.8 -15.35 78.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.489 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.75 -48.87 57.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.142 0.496 . . . . 0.0 110.321 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -105.07 65.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.18 87.42 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.135 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.596 0.236 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.518 HG23 HG12 ' A' ' 34' ' ' ILE . 18.7 m -111.39 119.8 40.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -122.82 137.74 54.84 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.732 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 83.5 m -120.24 175.09 2.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.538 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 32.0 Cg_exo -60.74 -150.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.837 2.358 . . . . 0.0 111.454 166.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -53.76 164.09 0.61 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.23 0.538 . . . . 0.0 111.44 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.68 -29.44 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.613 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.31 -38.57 82.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.138 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.94 97.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.358 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.79 -46.94 77.87 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.706 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.045 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -67.92 -28.3 67.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.414 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.81 -54.28 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.601 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.63 -32.86 66.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.613 0.244 . . . . 0.0 111.226 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -70.39 -24.86 26.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.093 0.473 . . . . 0.0 110.67 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.7 t -66.56 -36.71 83.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.344 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.639 ' HD2' ' HB2' ' A' ' 23' ' ' GLU . 52.3 ttt180 -82.67 -8.54 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.222 0.534 . . . . 0.0 110.76 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 55.1 tp -60.11 -53.92 60.39 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.914 -178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 37.2 Cg_endo -66.11 -15.69 49.43 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.971 1.781 . . . . 0.0 113.061 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.56 6.1 10.74 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.889 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -69.38 130.57 90.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.1 Cg_exo -50.14 130.56 28.51 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.191 2.594 . . . . 0.0 113.102 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.639 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . 38.6 tt0 -52.4 -43.83 64.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.445 -178.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.07 91.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.71 -45.56 91.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.98 -39.43 94.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.744 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.85 63.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.3 m -65.19 -33.06 75.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.485 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.67 -36.27 57.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.272 . . . . 0.0 111.257 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -93.12 -23.05 18.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.555 -172.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.39 24.94 6.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.748 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.24 137.94 34.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.791 0.329 . . . . 0.0 110.447 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.3 pt -113.06 136.48 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.518 HG12 HG23 ' A' ' 2' ' ' THR . 53.1 mt -114.83 100.12 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 38' ' ' ALA . 22.0 pt -95.57 142.98 25.34 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -62.84 -44.66 15.68 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.252 1.968 . . . . 0.0 111.467 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.05 133.74 2.43 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.718 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . 175.22 -97.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.016 0.526 . . . . 0.0 110.386 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -176.61 159.47 1.87 Allowed 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.685 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 67.0 m -124.81 112.08 27.23 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 43' ' ' ASP . 10.8 Cg_endo -55.99 151.69 40.56 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.969 2.446 . . . . 0.0 112.353 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.84 36.39 0.73 Allowed Glycine 0 C--O 1.228 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.565 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.502 ' H ' ' C ' ' A' ' 41' ' ' PRO . 24.5 t70 -122.34 -32.27 3.67 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.41 26.24 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.413 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.18 86.3 2.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.871 0.367 . . . . 0.0 111.644 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 8.5 m120 . . . . . 0 C--O 1.244 0.766 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.539 HG22 HG23 ' A' ' 34' ' ' ILE . 12.0 t . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 m -72.44 120.99 18.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.587 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.21 130.81 43.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 79.2 m -97.79 160.85 27.55 Favored Pre-proline 0 C--N 1.32 -0.717 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.271 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 6' ' ' SER . 81.5 Cg_exo -51.24 -76.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 123.122 2.548 . . . . 0.0 114.237 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 7.8 t -117.43 177.97 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.444 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.64 HG13 HD22 ' A' ' 46' ' ' ASN . 3.8 mp -57.65 -46.11 86.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.366 -170.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -59.51 -40.16 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.948 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 12.2 tpt180 -67.03 -38.04 85.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.116 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.4 t -62.08 -49.59 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.991 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.75 -36.09 80.0 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.08 -49.03 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.2 -40.09 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 11' ' ' SER . 96.2 t -64.7 -36.53 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -65.14 -39.07 92.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 13.4 ttp85 -78.85 -16.47 57.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.423 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 52.6 tp -54.24 -52.25 70.52 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 26.4 Cg_endo -62.33 -16.26 50.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.695 2.263 . . . . 0.0 113.032 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.15 26.81 2.85 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.901 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 32.9 m -92.92 129.06 41.11 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.657 0.265 . . . . 0.0 110.543 177.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 43.8 Cg_exo -58.28 154.45 40.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.445 2.763 . . . . 0.0 113.219 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 4.9 mt-10 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.678 -176.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.45 75.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.599 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 25' ' ' LEU . 4.0 mm? -68.36 -41.31 80.86 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.07 0.462 . . . . 0.0 110.876 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -49.06 77.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -61.81 -36.18 80.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 111.198 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -78.07 -37.6 46.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.472 -174.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 t -94.87 -6.03 43.63 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.259 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.1 35.61 26.8 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.44 153.52 18.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 pt -116.82 149.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.907 -170.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG23 HG22 ' A' ' 1' ' ' THR . 68.3 mt -135.87 131.79 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 pt -118.88 158.16 48.46 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.55 -34.85 73.89 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.81 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.54 142.65 31.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.349 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.99 47.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 0.0 111.085 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.3 m -149.77 132.78 16.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.481 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.44 119.79 51.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.24 145.97 97.41 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.965 2.443 . . . . 0.0 112.273 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.56 65.38 3.68 Favored Glycine 0 CA--C 1.51 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.517 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -157.12 -37.23 0.07 Allowed 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.11 19.93 16.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.009 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 88.83 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.809 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.64 HD22 HG13 ' A' ' 7' ' ' ILE . 16.1 t-20 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.572 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -91.56 126.91 36.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.129 0.49 . . . . 0.0 110.963 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -125.96 111.72 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.206 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.3 m -99.69 159.0 31.12 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.23 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.68 -144.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.415 2.743 . . . . 0.0 112.382 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -48.76 154.94 0.63 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.163 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mt -52.1 -34.83 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.727 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.16 -36.24 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.438 ' HB1' HG21 ' A' ' 30' ' ' THR . . . -68.95 -31.27 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 -178.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 10' ' ' ARG . 2.8 tpp85 -58.05 -47.44 83.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -64.46 -43.44 94.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.152 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.46 -39.77 94.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.38 -41.49 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.614 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -30.07 70.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.826 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.17 -39.45 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.656 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 43.9 t -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 17.1 ttp180 -84.69 -3.41 58.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.603 0.24 . . . . 0.0 111.337 -174.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.519 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 61.3 tp -65.69 -51.16 51.38 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 3.4 Cg_exo -76.06 22.73 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.46 2.107 . . . . 0.0 112.884 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.76 30.33 59.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.287 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 23.2 m -84.82 136.17 39.28 Favored Pre-proline 0 C--N 1.318 -0.786 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.89 136.04 35.99 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.999 2.466 . . . . 0.0 112.938 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -71.52 -35.05 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.827 -174.64 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.18 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -66.94 -44.69 79.98 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.0 m -67.2 -29.83 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.98 40.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 0.0 110.476 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 m -64.97 -36.82 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -63.53 -36.13 82.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.527 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.438 HG21 ' HB1' ' A' ' 9' ' ' ALA . 1.8 m -98.46 -11.2 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.257 0.551 . . . . 0.0 110.715 -175.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.68 26.49 58.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.088 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -95.22 138.82 32.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 pt -115.01 162.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.027 0.442 . . . . 0.0 111.455 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.27 124.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.428 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.482 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.0 pt -110.65 129.56 23.83 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 7.4 Cg_exo -74.62 -10.58 21.94 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.854 2.369 . . . . 0.0 112.22 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.91 178.72 40.5 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.96 143.29 0.07 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.642 0.777 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -71.55 152.39 43.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.806 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -92.12 123.3 63.09 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.714 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.06 142.44 98.4 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.835 2.357 . . . . 0.0 111.515 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.7 -23.14 42.92 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.491 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.62 -33.1 74.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -117.6 9.97 13.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.25 87.4 3.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.876 -177.212 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.55 0.214 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -92.74 124.2 36.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.837 0.351 . . . . 0.0 110.494 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 63.9 m -117.67 107.59 14.4 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.95 179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.446 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 92.6 m -94.37 164.42 20.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 111.256 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 9' ' ' ALA . 29.0 Cg_endo -67.63 -154.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.867 2.378 . . . . 0.0 111.848 171.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -45.06 154.68 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.341 0.591 . . . . 0.0 112.53 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -49.44 -38.1 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.823 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.68 -46.98 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.214 0.53 . . . . 0.0 110.288 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' HB3' HG22 ' A' ' 30' ' ' THR . . . -65.7 -35.05 79.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 176.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' HB3' ' A' ' 46' ' ' ASN . 41.4 ttt180 -57.49 -46.47 83.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.165 0.507 . . . . 0.0 110.219 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.449 ' O ' HG22 ' A' ' 15' ' ' VAL . 24.5 m -62.68 -41.04 98.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.873 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -60.93 -43.09 99.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.315 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.61 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.088 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -63.69 -44.72 92.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.508 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 11' ' ' SER . 98.0 t -67.88 -38.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.8 t -58.39 -43.79 88.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 21' ' ' THR . 35.7 ttt180 -83.32 -10.86 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.491 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.84 -51.02 83.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.806 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 73.1 Cg_endo -75.16 18.65 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 122.288 1.992 . . . . 0.0 113.785 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.05 40.77 6.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.817 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 4.1 m -101.01 135.41 19.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.02 131.38 25.59 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 0.0 112.845 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -44.25 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.025 -177.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.67 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.46 -48.36 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.007 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -67.66 -37.23 82.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.016 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.85 78.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.72 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.24 -36.32 83.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.02 0.438 . . . . 0.0 110.741 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 9' ' ' ALA . 1.9 m -95.77 -23.59 16.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.578 -172.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.15 37.04 4.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.844 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.91 140.67 29.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.672 -0.311 . . . . 0.0 110.243 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -106.91 139.4 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 0.0 110.591 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 34' ' ' ILE . 4.7 mp -103.91 134.75 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.671 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 pt -124.83 142.61 41.4 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.37 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.23 -28.04 48.14 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.42 2.08 . . . . 0.0 111.51 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.52 -140.24 6.42 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' HB ' ' A' ' 39' ' ' THR . . . 69.31 22.48 6.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.464 0.705 . . . . 0.0 111.539 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 27.2 m 64.06 130.75 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.733 0.778 . . . . 0.0 112.999 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.9 t -90.08 125.98 58.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.731 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.9 Cg_exo -58.8 149.2 79.3 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.697 2.265 . . . . 0.0 111.987 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.8 58.08 Favored Glycine 0 CA--C 1.516 0.128 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.62 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.62 -23.89 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.223 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 86.3 m-85 -124.08 17.29 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.976 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.99 84.3 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.627 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 10' ' ' ARG . 49.4 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.02 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.524 ' HB ' HG13 ' A' ' 35' ' ' ILE . 3.7 m . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m -130.74 130.28 43.58 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.59 116.53 13.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 67.7 m -100.4 161.61 23.49 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.212 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HA ' ' HB3' ' A' ' 44' ' ' TYR . 24.5 Cg_exo -66.26 -150.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.832 2.355 . . . . 0.0 110.782 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -38.94 136.97 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.71 0.404 . . . . 0.0 111.127 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -44.53 -37.01 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.496 -171.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -49.72 -46.17 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.889 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.8 78.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.28 0.562 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 57.7 ttt180 -67.87 -41.1 83.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.882 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 m -61.92 -43.85 97.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -64.46 -45.57 86.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.949 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.32 -45.37 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -63.02 -46.15 88.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.2 -176.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.53 -36.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.876 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' O ' ' HB ' ' A' ' 21' ' ' THR . 54.0 t -65.19 -40.4 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -83.81 10.32 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.034 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.5 tm? -80.59 -55.01 0.75 Allowed Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.449 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 5.0 Cg_exo -77.8 31.48 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.548 2.165 . . . . 0.0 113.439 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.29 28.91 61.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 32.3 m -91.22 131.71 36.0 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -44.82 126.88 7.78 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.22 2.613 . . . . 0.0 113.411 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.17 -47.33 72.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.86 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.42 84.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.811 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.23 -38.99 92.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.082 0.468 . . . . 0.0 110.454 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.6 m -77.26 -29.7 54.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.481 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.75 -45.34 71.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.752 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -66.62 -26.02 66.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.438 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -78.47 -33.56 48.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.456 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -95.11 -35.7 11.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.016 -176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.81 25.82 7.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.517 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.4 t -96.68 148.4 22.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.0 pt -110.41 146.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.223 0.535 . . . . 0.0 111.824 -175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.4 mt -119.76 122.08 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.585 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.524 HG13 ' HB ' ' A' ' 1' ' ' THR . 21.1 pt -134.04 153.57 79.77 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.658 -175.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -91.82 77.4 0.48 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.493 2.795 . . . . 0.0 111.569 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.82 4.48 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.293 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.17 -32.69 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 t -130.34 -173.78 3.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 120.737 0.303 . . . . 0.0 110.681 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.4 m -117.02 157.5 46.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' HE1' ' A' ' 44' ' ' TYR . 21.1 Cg_exo -66.19 176.74 3.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.892 2.395 . . . . 0.0 112.223 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.29 -28.98 23.57 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.448 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.62 -52.05 59.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.231 0.538 . . . . 0.0 110.192 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.573 ' HE1' ' HG2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -129.88 99.54 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.771 177.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.81 86.32 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.758 173.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.124 -179.27 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.538 ' HB ' HG13 ' A' ' 35' ' ' ILE . 5.3 m . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -123.48 138.94 54.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.096 0.474 . . . . 0.0 109.997 174.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.6 m -134.9 145.71 48.5 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.222 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 m -127.92 150.34 73.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -73.24 150.85 48.09 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.318 2.012 . . . . 0.0 112.181 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t 50.96 175.95 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.658 -1.156 . . . . 0.0 112.604 -173.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 46' ' ' ASN . 27.1 mm -82.72 -32.0 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.309 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.31 -32.57 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.502 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.553 ' HB3' HG23 ' A' ' 30' ' ' THR . . . -66.55 -34.32 77.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.178 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.807 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.469 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.9 p -69.17 -38.67 78.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.592 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -62.93 -37.61 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.006 0.431 . . . . 0.0 110.556 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.51 -41.66 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.402 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -63.96 -39.32 93.87 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.747 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 11' ' ' SER . 92.4 t -61.47 -38.92 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.931 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 11.9 t -53.8 -46.57 71.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.0 111.88 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -92.68 11.47 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.962 0.41 . . . . 0.0 111.514 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.529 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.0 tt -75.26 -55.04 2.3 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.543 177.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.529 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 73.1 Cg_endo -77.43 -41.17 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.642 1.561 . . . . 0.0 111.952 176.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.83 46.22 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.984 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.457 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 44.1 m -93.16 138.13 23.32 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.614 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 82.7 Cg_exo -46.56 121.05 4.37 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.809 2.339 . . . . 0.0 113.414 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -51.59 -50.64 59.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.257 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.48 97.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.533 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.7 tt -55.31 -45.9 76.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 110.49 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.0 m -74.09 -34.17 63.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.242 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.35 65.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 m -63.04 -40.81 98.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.39 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -81.85 -38.71 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 0.0 110.75 -174.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.553 HG23 ' HB3' ' A' ' 9' ' ' ALA . 4.2 m -81.4 -5.78 58.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.499 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.79 36.46 52.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.394 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.09 143.87 25.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -98.1 155.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.71 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -126.63 109.36 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.538 HG13 ' HB ' ' A' ' 1' ' ' THR . 18.4 pt -117.46 134.13 23.17 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.321 176.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.77 -27.96 81.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.975 2.45 . . . . 0.0 112.708 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.42 176.48 32.21 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.44 152.76 0.13 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.8 t -100.14 156.46 17.18 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.142 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.738 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 60.6 m -85.29 143.69 39.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.618 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.06 152.88 72.88 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.689 2.26 . . . . 0.0 111.579 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.27 -22.23 62.92 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 113.685 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.57 -38.88 92.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.428 . . . . 0.0 111.02 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.14 -39.07 8.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.504 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.738 ' HB1' ' HB2' ' A' ' 40' ' ' CYS . . . -79.1 110.06 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 110.504 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' A' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.804 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.629 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 79.3 m . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.45 HG22 ' SG ' ' A' ' 32' ' ' CYS . 29.8 m -114.07 124.72 52.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.585 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.3 m -131.5 128.56 39.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -114.14 152.96 46.33 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 Cg_exo -81.29 164.89 19.15 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.731 2.287 . . . . 0.0 111.516 172.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t 54.98 121.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.181 0.926 . . . . 0.0 113.034 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.69 -30.86 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.386 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.07 -42.93 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -65.85 -42.79 90.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 13' ' ' PHE . 9.5 tmm_? -70.25 -26.06 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.863 0.363 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -60.76 -55.32 34.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.27 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -68.94 -27.16 65.5 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.595 0.236 . . . . 0.0 110.501 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.593 ' HB2' HG21 ' A' ' 30' ' ' THR . 67.3 t80 -58.21 -47.49 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 110.749 173.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -66.91 -44.75 79.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.81 -28.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.542 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -64.65 -37.53 87.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.384 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -83.29 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.686 0.279 . . . . 0.0 111.587 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -63.64 -51.4 66.39 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.4 Cg_exo -71.42 2.73 4.18 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.586 2.191 . . . . 0.0 113.036 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.49 25.14 12.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.713 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -84.33 130.26 54.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 7.0 Cg_endo -50.53 138.09 39.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.311 2.674 . . . . 0.0 112.994 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.67 -44.92 93.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.219 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.333 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 1.3 tt -58.36 -54.91 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.6 m -60.74 -33.21 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.423 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.79 89.8 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.871 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.5 m -67.06 -31.26 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.342 0.591 . . . . 0.0 110.653 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -75.32 -25.04 57.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.47 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.593 HG21 ' HB2' ' A' ' 13' ' ' PHE . 7.5 p -105.34 -4.06 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.19 37.68 59.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.604 -1.284 . . . . 0.0 110.61 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.9 t -99.95 153.67 19.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.606 -0.797 . . . . 0.0 110.306 -173.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.2 pt -113.76 143.53 23.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 111.583 -176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.32 103.37 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.705 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 pt -104.58 150.9 39.05 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.41 -28.5 46.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.302 2.668 . . . . 0.0 112.432 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.79 156.67 49.09 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.864 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.629 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -98.82 12.84 34.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.05 0.452 . . . . 0.0 111.326 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.3 m -152.83 128.11 9.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.317 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 m -101.7 147.55 34.01 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.237 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.04 150.17 85.51 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.565 2.177 . . . . 0.0 111.307 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.46 -11.12 55.83 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.842 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.62 -29.51 70.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.697 0.399 . . . . 0.0 111.388 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 6.8 t80 -141.31 30.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.667 -173.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.99 112.88 13.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 0.0 111.715 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.602 175.222 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 m -92.49 124.58 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.797 0.332 . . . . 0.0 110.291 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -129.68 141.86 50.83 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -109.65 156.08 40.3 Favored Pre-proline 0 C--N 1.319 -0.73 0 O-C-N 122.139 -0.35 . . . . 0.0 110.377 -177.413 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 4.8 Cg_exo -82.19 153.56 16.46 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.536 2.157 . . . . 0.0 111.721 170.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t 56.78 152.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.911 -1.04 . . . . 0.0 113.562 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm -70.68 -32.22 48.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.117 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.28 -39.82 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.964 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.04 84.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.234 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.59 -50.17 74.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.883 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.0 m -60.6 -38.0 83.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.337 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -72.93 -33.64 66.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.111 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -63.78 -41.11 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.031 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.97 -39.56 90.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' SER . 68.6 t -61.38 -37.06 76.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -72.9 -36.8 67.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.9 tpt180 -75.55 -27.28 58.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.428 -176.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.1 tp -52.74 -53.09 58.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 55.3 Cg_endo -70.86 -4.99 15.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.656 1.57 . . . . 0.0 113.322 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.19 49.64 1.7 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.564 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -101.73 133.68 20.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 143.47 60.87 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.932 2.422 . . . . 0.0 112.042 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.8 pm0 -63.86 -33.79 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.96 88.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.07 0.462 . . . . 0.0 110.458 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.48 -47.65 75.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.17 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.39 -47.09 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.63 -37.47 65.69 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -67.6 -27.98 67.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.226 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -86.56 -37.42 18.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.648 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.66 -24.43 29.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.019 0.438 . . . . 0.0 111.598 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.63 31.12 8.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.248 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.3 m -83.97 150.2 25.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 pt -98.78 136.94 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 0.0 110.13 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -110.78 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.144 0.497 . . . . 0.0 110.086 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.1 pt -114.09 150.89 44.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.545 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.46 -19.92 36.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.032 2.488 . . . . 0.0 111.904 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.49 152.25 52.56 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.75 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.874 0.369 . . . . 0.0 110.611 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.1 m -102.4 115.7 31.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.02 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 97.5 m -90.61 132.42 35.15 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 38.9 Cg_exo -58.97 138.14 83.88 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.511 2.141 . . . . 0.0 111.296 177.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.67 -26.28 38.81 Favored Glycine 0 C--N 1.329 0.19 0 O-C-N 123.609 0.568 . . . . 0.0 112.876 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.86 -28.93 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.732 0.413 . . . . 0.0 111.378 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -136.8 18.81 3.05 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.015 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.64 94.02 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.931 0.396 . . . . 0.0 111.967 -175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 14.4 m-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.215 -0.898 . . . . 0.0 108.908 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -121.97 148.57 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.996 0.427 . . . . 0.0 110.79 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -115.38 129.58 56.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.606 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.9 m -111.14 118.54 47.63 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.747 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.83 -70.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.382 2.721 . . . . 0.0 112.175 173.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -72.94 140.28 47.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.093 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 46' ' ' ASN . 50.9 mt -70.97 -24.75 24.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.525 0.679 . . . . 0.0 109.742 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.18 -32.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.9 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.23 72.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.053 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -55.86 -51.73 66.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.24 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -64.14 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.748 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -62.01 -39.45 92.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.564 0.221 . . . . 0.0 111.315 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 56.3 t80 -61.62 -45.59 93.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.66 -34.96 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.671 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.75 -37.41 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.113 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -65.91 -43.62 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.602 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 21' ' ' THR . 14.3 ttp180 -85.67 -8.32 58.28 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.664 -176.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.8 tm? -54.46 -50.86 82.83 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.634 -178.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.3 Cg_exo -71.51 7.31 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.268 1.978 . . . . 0.0 113.144 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.75 34.16 8.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.662 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 39.6 m -89.19 133.57 34.83 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -48.27 132.37 23.69 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.328 2.686 . . . . 0.0 112.588 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 9.8 pt-20 -59.42 -35.06 73.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.221 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' HD11 ' A' ' 34' ' ' ILE . . . -60.15 -46.73 88.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.025 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.07 -42.78 95.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.413 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -75.9 -40.69 53.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.444 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.21 -56.07 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.392 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.1 m -61.56 -29.76 70.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.686 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.12 -37.1 34.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -87.63 -39.22 15.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 -173.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 31.72 0.7 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.224 -0.989 . . . . 0.0 113.058 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -113.32 142.96 45.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.7 pt -98.44 147.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.482 0.182 . . . . 0.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 24' ' ' ALA . 54.2 mt -114.48 135.08 55.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.079 0.466 . . . . 0.0 110.721 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 pt -127.93 153.78 78.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.028 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.31 40.78 0.63 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.809 2.339 . . . . 0.0 112.507 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.29 153.64 22.01 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.764 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.44 1.53 54.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.861 0.363 . . . . 0.0 111.24 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -132.07 146.4 52.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.4 m -110.24 149.66 40.44 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.114 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 13.3 Cg_endo -58.43 141.18 96.93 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.811 2.341 . . . . 0.0 111.704 174.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.47 -40.2 76.67 Favored Glycine 0 CA--C 1.518 0.241 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.199 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.57 -31.92 72.81 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.531 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 69.5 m-85 -104.22 22.57 14.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 -176.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.24 85.42 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.302 0.573 . . . . 0.0 109.767 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' HG12 ' A' ' 7' ' ' ILE . 23.9 m-80 . . . . . 0 C--O 1.242 0.69 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.051 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.47 ' O ' HG12 ' A' ' 35' ' ' ILE . 28.1 m . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.582 HG23 HG12 ' A' ' 34' ' ' ILE . 7.2 m -74.96 120.8 20.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.783 0.325 . . . . 0.0 110.294 176.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.02 122.3 37.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.9 m -104.2 156.44 35.75 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 120.717 0.294 . . . . 0.0 110.762 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 47.2 Cg_endo -73.07 -154.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.826 2.351 . . . . 0.0 111.737 172.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -31.49 135.24 0.07 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.022 0.826 . . . . 0.0 112.415 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -45.62 -38.07 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -51.98 -32.11 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.082 0.467 . . . . 0.0 111.443 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.67 75.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 10' ' ' ARG . 19.3 ttm-85 -60.52 -39.15 86.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.913 0.387 . . . . 0.0 110.196 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.3 m -57.72 -57.7 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.302 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.5 -37.34 86.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.56 -41.38 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.231 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -71.28 -38.39 71.84 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 122.205 -0.309 . . . . 0.0 111.224 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 11' ' ' SER . 58.8 t -64.02 -34.74 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.066 0.46 . . . . 0.0 110.246 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 47.4 t -65.44 -34.41 78.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.578 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 68.2 mtm180 -84.39 -6.89 59.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -60.19 -50.75 84.61 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.509 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.8 Cg_exo -71.54 -6.17 18.58 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.112 1.875 . . . . 0.0 112.305 178.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.77 15.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.641 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -71.54 134.15 84.48 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.21 142.9 66.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.991 2.46 . . . . 0.0 112.858 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 40.8 mt-10 -62.43 -38.51 90.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.61 81.01 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 111.068 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.88 -55.02 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.249 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.5 m -58.8 -41.65 87.24 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.937 0.399 . . . . 0.0 111.072 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 m -81.3 -32.69 33.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.35 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 -42.89 16.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.51 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -88.27 -51.99 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.217 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.83 85.69 0.28 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 t -164.92 158.05 16.75 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.63 147.68 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.314 0.578 . . . . 0.0 111.131 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.582 HG12 HG23 ' A' ' 2' ' ' THR . 73.5 mt -121.89 107.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 1' ' ' THR . 23.0 pt -86.66 146.33 41.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.247 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 31.2 Cg_exo -59.33 -39.62 75.61 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.242 2.628 . . . . 0.0 113.005 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.3 176.88 25.93 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.26 141.08 0.06 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.61 0.719 . . . . 0.0 111.14 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 169.31 18.49 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.403 178.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.1 m -81.25 117.67 69.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.99 155.16 57.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.488 2.125 . . . . 0.0 111.625 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.09 -23.85 53.22 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.775 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.0 -38.91 90.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.115 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -128.61 35.38 4.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.615 0.721 . . . . 0.0 109.993 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -91.91 84.95 5.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.245 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.027 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 9.4 t -96.75 136.58 37.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -127.33 108.86 11.22 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.9 m -94.23 167.88 12.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.144 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 24.1 Cg_exo -66.12 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.399 2.066 . . . . 0.0 112.261 172.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -59.32 170.75 0.9 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.93 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.55 -49.22 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.983 -172.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.3 t -63.79 -47.54 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 110.997 -175.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' PRO . . . -62.39 -38.72 90.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.833 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 79.0 ttt180 -62.65 -38.06 88.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 m -65.14 -41.15 95.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.576 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -58.78 -39.85 82.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.451 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.6 t80 -61.54 -42.01 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.659 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -72.03 -43.14 65.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.98 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.83 -35.87 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.065 0.459 . . . . 0.0 110.973 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -65.24 -23.67 67.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.669 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 78.8 mtm180 -92.65 10.61 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.096 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.567 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -76.49 -52.44 2.25 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 87.0 Cg_endo -81.14 -168.33 0.61 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.198 1.932 . . . . 0.0 112.784 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.48 55.73 4.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.124 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -112.63 130.11 23.75 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -50.88 124.16 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.063 2.509 . . . . 0.0 112.936 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HG3' ' HD3' ' A' ' 17' ' ' ARG . 35.6 tt0 -57.47 -40.38 78.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.93 79.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.83 -47.06 82.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.706 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.2 m -60.52 -37.99 82.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.311 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -62.14 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -62.04 -30.52 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -73.2 -26.09 61.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.065 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.3 p -100.28 -9.32 22.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.369 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.99 19.42 63.06 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.374 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -96.02 136.79 36.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -108.45 140.29 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 55.4 mt -114.15 100.13 10.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.687 176.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 pt -99.19 150.99 37.23 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.295 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.43 -10.81 28.82 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.828 2.352 . . . . 0.0 111.632 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.45 173.95 39.36 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.937 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.8 -35.68 7.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.559 0.219 . . . . 0.0 111.277 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -99.39 132.76 44.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.213 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.3 m -83.14 150.58 61.44 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.677 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HB2' ' HD1' ' A' ' 44' ' ' TYR . 52.3 Cg_exo -56.24 147.44 66.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 111.932 174.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.44 88.02 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.749 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.22 -37.25 69.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 0.0 110.285 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.473 ' HD1' ' HB2' ' A' ' 41' ' ' PRO . 93.2 m-85 -89.88 37.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.805 -176.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.78 87.44 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 111.355 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.708 ' OXT' ' HD2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.338 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -126.67 148.84 49.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.577 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 33' ' ' ILE . 97.0 m -132.68 120.35 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.443 ' SG ' ' HD2' ' A' ' 10' ' ' ARG . 95.8 m -98.33 142.74 25.08 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.929 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 41.7 Cg_exo -44.06 -71.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.899 3.066 . . . . 0.0 114.655 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t -114.12 169.74 8.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.766 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.522 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 53.0 mt -51.54 -44.65 34.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.169 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.4 -39.11 84.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.314 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.46 92.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 11.7 tpt180 -68.77 -36.88 78.88 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 t -61.68 -47.98 82.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.076 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -56.43 -40.76 75.28 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.343 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.25 -39.78 88.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.382 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -73.5 -43.75 59.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.645 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.81 -33.07 56.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.38 -23.73 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.479 . . . . 0.0 111.033 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 9.2 mmm180 -87.83 0.63 55.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.764 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -74.38 -54.08 3.32 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 -179.007 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 8.1 Cg_exo -73.6 -4.26 15.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.389 2.059 . . . . 0.0 112.557 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.58 47.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.237 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 6.0 m -67.18 129.61 93.83 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.81 134.9 67.44 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.336 2.69 . . . . 0.0 112.919 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.3 pm0 -64.73 -33.4 75.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.818 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.51 69.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.203 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 35.5 tp -85.68 -44.81 12.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.58 -39.19 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.09 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.17 -60.32 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -69.57 -34.93 74.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.335 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 1.8 t80 -63.13 -36.94 85.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.068 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.1 -32.71 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.361 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.75 3.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.515 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -97.93 149.37 22.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 3' ' ' CYS . 37.8 pt -103.51 144.35 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.987 -171.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.2 mt -99.39 120.26 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.159 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.7 pt -113.29 150.71 43.49 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.28 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.99 -53.09 6.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.799 2.333 . . . . 0.0 111.943 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.66 141.99 3.35 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.116 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 76.56 -43.62 0.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 m -78.44 95.2 5.06 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.217 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -137.17 127.46 15.87 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.48 138.45 65.95 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.967 2.445 . . . . 0.0 112.788 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.45 51.94 3.73 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.603 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -170.31 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 13.5 m-85 -94.75 14.66 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.2 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.61 87.76 7.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.468 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.53 ' OXT' ' HD3' ' A' ' 10' ' ' ARG . 22.0 t-20 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.638 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 120.816 0.341 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.424 HG23 HG12 ' A' ' 34' ' ' ILE . 7.1 m -102.82 126.49 49.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.189 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.98 116.57 16.58 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.0 m -94.94 161.9 26.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.734 0.302 . . . . 0.0 111.378 -174.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 44.8 Cg_exo -45.12 -66.65 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.706 2.937 . . . . 0.0 113.55 175.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -127.97 164.74 21.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.353 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.08 -23.89 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.568 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.77 -38.6 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.46 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.05 90.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -58.4 -44.87 89.16 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 109.981 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 t -63.11 -49.49 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.618 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -64.84 -30.95 71.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.924 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -58.37 -48.55 80.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -64.12 -40.29 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.444 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 61.9 t -67.87 -40.15 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.272 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -64.95 -41.6 95.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.01 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 37.1 ttt180 -80.07 -15.49 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.371 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.9 tt -57.37 -51.47 81.47 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.985 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 9.9 Cg_exo -72.92 8.21 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.636 2.224 . . . . 0.0 113.132 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.15 24.97 9.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.531 -0.843 . . . . 0.0 113.487 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -88.31 130.2 46.73 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 117.123 0.461 . . . . 0.0 110.061 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 11.0 Cg_endo -54.78 138.15 76.07 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.268 2.645 . . . . 0.0 112.769 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 3.2 mp0 -46.04 -55.9 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.624 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.19 72.75 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.948 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -63.33 -44.62 94.37 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.8 m -69.46 -34.63 74.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.72 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.674 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.6 m -61.25 -43.81 98.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.331 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -73.01 -31.41 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -175.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -83.77 -4.92 59.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.35 29.92 69.71 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.245 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 19.1 t -87.06 153.03 21.85 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -118.1 146.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.464 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG12 HG23 ' A' ' 2' ' ' THR . 66.5 mt -121.73 102.99 12.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.689 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.7 pt -100.61 149.96 36.57 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.9 -26.91 43.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.097 2.531 . . . . 0.0 112.189 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.6 -172.97 39.72 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.674 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.28 8.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.192 0.52 . . . . 0.0 110.409 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -80.99 71.57 7.96 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.192 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.729 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -108.24 115.95 57.45 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.646 171.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.77 156.82 55.47 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.0 56.19 2.69 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.548 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -162.83 -40.7 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -94.23 -22.21 18.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.932 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.729 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -77.79 96.91 5.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.719 176.54 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.479 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 87.6 m . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.77 0.319 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.402 HG22 ' SG ' ' A' ' 32' ' ' CYS . 7.6 m -88.11 128.55 35.43 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' O ' HG12 ' A' ' 33' ' ' ILE . 2.7 m -129.83 113.69 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 109.944 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 72.4 m -95.62 152.84 39.43 Favored Pre-proline 0 C--N 1.316 -0.885 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.585 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.55 -74.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 124.006 3.138 . . . . 0.0 114.471 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -135.56 -172.06 2.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.89 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.599 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 63.7 mt -55.67 -43.48 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.313 -172.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.01 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.445 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.07 99.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.644 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 23.4 ttm180 -62.97 -41.78 99.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 15' ' ' VAL . 57.2 m -59.99 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.688 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -71.09 -31.77 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.578 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.51 -45.09 95.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.136 0.493 . . . . 0.0 109.898 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -63.21 -38.72 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 11' ' ' SER . 86.5 t -63.83 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 t -65.46 -46.33 80.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.529 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 21' ' ' THR . 39.8 ttt-85 -82.91 -7.93 59.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.462 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -49.9 -52.26 53.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 44.1 Cg_endo -70.9 2.52 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.356 2.037 . . . . 0.0 113.559 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.27 6.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.861 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.626 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 6.3 m -80.28 138.24 52.28 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.82 145.68 71.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.06 -45.85 86.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.996 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.56 85.14 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.112 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.76 -55.02 38.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.804 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.4 m -66.4 -28.37 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.534 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.28 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.056 0.455 . . . . 0.0 109.982 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -78.12 -29.03 48.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.528 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.83 -42.55 81.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -102.59 -20.3 14.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 111.456 -171.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.21 34.72 6.01 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.1 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' A' ' 2' ' ' THR . 32.3 t -99.84 146.65 26.37 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 3' ' ' CYS . 38.6 pt -110.95 149.06 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.237 0.541 . . . . 0.0 111.737 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.0 mm -106.71 138.96 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.368 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.3 pt -127.07 143.04 45.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.494 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.51 -22.91 58.22 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.871 2.381 . . . . 0.0 111.807 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.57 -175.79 41.38 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.677 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -113.62 -23.69 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.393 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -106.96 117.16 33.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.024 0.44 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.96 136.55 50.58 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.442 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.52 118.47 5.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.565 2.177 . . . . 0.0 111.195 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . -59.21 -20.09 48.81 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 113.428 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.39 -24.46 66.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.596 0.359 . . . . 0.0 110.57 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -145.12 36.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . . . -117.74 100.14 7.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.599 ' OD1' ' HA ' ' A' ' 7' ' ' ILE . 13.2 t-20 . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.758 0.313 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.494 HG22 ' SG ' ' A' ' 32' ' ' CYS . 10.3 m -101.51 131.16 47.82 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -132.67 123.62 26.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.13 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.0 m -103.7 163.65 16.97 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.54 -73.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.302 2.668 . . . . 0.0 113.584 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -92.78 161.25 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.263 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.511 ' CG1' HD21 ' A' ' 46' ' ' ASN . 59.2 mt -67.91 -40.67 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.095 0.474 . . . . 0.0 109.888 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.51 -34.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.608 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.81 84.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.626 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.97 -46.92 79.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.738 0.304 . . . . 0.0 110.606 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.2 m -59.24 -48.56 81.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.11 -29.78 69.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.089 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 23' ' ' GLU . 66.6 t80 -67.89 -38.34 82.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.074 0.464 . . . . 0.0 109.875 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.43 -30.35 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' SER . 80.4 t -60.05 -42.19 88.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.767 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 5.4 t -60.57 -47.34 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.179 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.932 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 29.9 mtp180 -82.85 10.4 7.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.7 tt -80.88 -57.64 0.57 Allowed Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 59.3 Cg_endo -72.72 -20.52 22.81 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.747 1.631 . . . . 0.0 112.045 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.32 63.12 0.49 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.426 -0.893 . . . . 0.0 112.438 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.767 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.5 m -117.37 134.91 23.06 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -50.31 134.62 38.27 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.306 2.671 . . . . 0.0 113.569 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.932 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 33.4 mt-10 -57.31 -50.32 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.353 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.26 78.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.395 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.2 -49.33 78.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.125 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -80.25 -41.98 24.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.014 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -34.68 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.759 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -66.23 -26.14 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -89.59 -37.34 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.666 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -19.41 57.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.367 . . . . 0.0 111.353 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.28 13.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.465 -0.874 . . . . 0.0 110.957 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 2' ' ' THR . 38.5 t -106.43 142.85 35.43 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 pt -103.71 141.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.324 0.583 . . . . 0.0 111.844 -172.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.95 115.76 48.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.885 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 pt -119.86 142.66 33.59 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.83 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 3.3 Cg_exo -77.2 74.32 5.11 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.717 2.278 . . . . 0.0 111.321 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.02 -148.26 6.42 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.839 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.99 19.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 110.91 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 m -124.87 93.61 3.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.102 0.477 . . . . 0.0 110.85 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.1 131.3 24.47 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.23 134.84 61.78 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.247 1.964 . . . . 0.0 111.048 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.99 -30.03 29.18 Favored Glycine 0 CA--C 1.521 0.43 0 O-C-N 123.387 0.429 . . . . 0.0 113.466 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.62 -21.98 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.91 26.34 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.204 0.526 . . . . 0.0 110.657 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.05 96.95 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.066 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.511 HD21 ' CG1' ' A' ' 7' ' ' ILE . 16.8 t-20 . . . . . 0 C--O 1.243 0.742 0 CA-C-O 118.255 -0.879 . . . . 0.0 109.534 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.607 ' HB ' HG23 ' A' ' 35' ' ' ILE . 27.8 m . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 m -108.88 128.87 55.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.806 0.336 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 82.9 m -130.97 142.03 50.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.086 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t -147.47 137.76 12.53 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 6.4 Cg_exo -73.3 156.05 50.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 111.191 175.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t 57.32 129.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.995 0.903 . . . . 0.0 112.721 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.679 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.1 mt -63.13 -28.09 44.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.506 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -67.95 -31.9 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.628 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.85 68.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.76 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' HE ' ' C ' ' A' ' 46' ' ' ASN . 14.1 ttm180 -60.66 -41.19 94.5 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.714 0.292 . . . . 0.0 110.467 176.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.2 t -58.12 -48.92 78.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.64 -33.54 76.14 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -60.26 -45.26 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.71 -41.8 68.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' SER . 93.4 t -63.81 -30.35 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 110.695 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.9 t -60.45 -33.28 72.33 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 59.9 mtp180 -88.9 -5.88 57.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.2 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.2 tp -65.95 -50.11 54.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.79 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.2 Cg_exo -71.62 -31.89 12.76 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.668 1.579 . . . . 0.0 111.791 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 73.32 0.16 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.324 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.9 m -135.17 136.13 24.09 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 68.8 Cg_exo -51.75 140.44 46.93 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.347 2.698 . . . . 0.0 112.98 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.626 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -63.75 -42.12 97.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.332 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.09 99.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 0.0 110.402 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.5 -49.11 79.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.185 178.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -60.82 -44.63 96.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.26 82.54 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -69.43 -27.42 65.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 110.6 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -77.2 -35.85 55.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 p -88.97 -34.74 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.774 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.75 29.63 3.52 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.052 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.94 142.91 28.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.9 150.11 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.092 0.472 . . . . 0.0 111.189 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.97 112.19 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.428 0.632 . . . . 0.0 110.101 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.607 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.4 tt -109.43 128.84 24.7 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.602 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.67 -9.73 19.92 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.457 2.104 . . . . 0.0 112.041 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.512 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -92.38 144.32 17.03 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.247 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 53.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.104 0.478 . . . . 0.0 111.598 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.2 m -154.68 125.44 7.06 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 48.7 t -119.74 136.99 25.14 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.699 0.285 . . . . 0.0 110.486 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 29.5 Cg_exo -61.13 150.71 83.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.081 2.52 . . . . 0.0 111.971 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.52 -29.64 69.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.653 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -83.93 -10.89 57.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.99 0.424 . . . . 0.0 110.724 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.48 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 50.1 m-85 -113.76 14.26 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.647 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 46' ' ' ASN . . . -80.1 85.18 5.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.656 -175.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.5 t30 . . . . . 0 C--O 1.247 0.95 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.091 0.472 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.576 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.2 m -97.34 130.39 44.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.103 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m -126.31 114.62 18.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.53 ' HB2' ' OXT' ' A' ' 46' ' ' ASN . 59.5 m -105.16 160.28 26.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.03 -176.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 6' ' ' SER . 64.1 Cg_exo -57.51 -113.55 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 123.647 2.898 . . . . 0.0 113.394 175.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 18.8 t -75.34 169.45 18.04 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 121.362 -0.836 . . . . 0.0 110.609 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.925 ' HA ' HD21 ' A' ' 46' ' ' ASN . 43.9 mt -58.68 -37.28 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.621 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -52.59 -40.44 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.474 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.74 -14.7 63.17 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.685 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -97.96 -40.83 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.953 0.406 . . . . 0.0 110.468 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -57.75 -39.62 77.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.51 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -83.56 -27.73 29.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.87 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -62.99 -41.36 99.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -67.18 -16.85 64.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.225 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.15 -46.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.91 -30.7 70.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.618 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.527 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 14.7 tpt180 -94.53 8.31 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 110.726 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -63.67 -52.05 61.47 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 93.2 Cg_endo -89.74 -166.72 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.744 1.629 . . . . 0.0 112.553 176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.11 58.11 3.98 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.42 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -106.18 134.87 19.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.629 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 94.3 Cg_exo -46.31 133.98 15.68 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.247 2.631 . . . . 0.0 112.812 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 6.5 mt-10 -74.38 -41.22 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 -173.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.27 83.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.872 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.3 tt -53.37 -55.88 21.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.204 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 m -66.37 -39.88 89.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.05 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.75 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.526 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.3 m -67.16 -29.58 69.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -71.51 -35.32 70.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.7 p -90.97 -28.88 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.92 24.65 8.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.605 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.576 ' SG ' HG22 ' A' ' 2' ' ' THR . 46.1 t -93.47 154.61 17.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -115.53 139.57 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.178 0.513 . . . . 0.0 111.543 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 HG23 ' A' ' 2' ' ' THR . 72.9 mt -111.37 112.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.896 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 pt -106.46 137.81 19.55 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.039 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.74 -18.17 62.88 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.992 2.462 . . . . 0.0 113.131 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.16 166.97 12.75 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.463 -0.399 . . . . 0.0 113.212 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.13 -23.04 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.911 0.386 . . . . 0.0 110.725 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -109.96 166.9 10.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.906 0.384 . . . . 0.0 110.55 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.4 t -152.38 128.05 5.02 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.54 135.46 66.52 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.046 2.497 . . . . 0.0 112.542 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.79 -28.13 65.23 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 113.566 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.93 -22.18 66.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.832 0.348 . . . . 0.0 111.402 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -132.39 23.65 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.701 . . . . 0.0 109.33 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.5 89.0 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.18 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.925 HD21 ' HA ' ' A' ' 7' ' ' ILE . 2.4 t30 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.116 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.714 0.293 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.627 ' HB ' HG12 ' A' ' 34' ' ' ILE . 5.4 t -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 38.8 m -125.26 131.83 53.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.846 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 89.2 m -115.76 154.32 48.08 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.494 -174.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.99 -71.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.261 2.641 . . . . 0.0 113.306 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -114.98 168.76 9.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.499 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.56 -28.52 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.425 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.28 -39.11 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -68.12 -35.61 78.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 35.7 ttm-85 -67.67 -36.74 81.27 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.217 0.532 . . . . 0.0 110.143 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 m -68.88 -41.77 77.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.923 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.44 -27.52 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.353 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 57.4 t80 -55.59 -51.58 66.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 110.654 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.73 -43.77 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.044 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.4 t -63.29 -36.06 82.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.493 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 61.9 mtp180 -91.65 2.87 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 119.641 -0.218 . . . . 0.0 111.343 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.45 -36.65 33.65 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.207 1.938 . . . . 0.0 112.42 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.94 67.35 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.363 -0.923 . . . . 0.0 112.465 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 24.1 m -132.75 132.75 22.75 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.509 ' HD2' HD12 ' A' ' 25' ' ' LEU . 31.4 Cg_exo -59.27 143.11 99.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.799 2.333 . . . . 0.0 112.424 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 9.5 pt-20 -58.54 -32.66 69.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.553 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.98 91.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' A' ' 22' ' ' PRO . 39.1 mt -69.72 -34.86 74.45 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.5 m -66.88 -25.99 66.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.654 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -26.11 43.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.404 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -61.4 -53.67 53.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.809 -176.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -77.22 -28.65 53.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -79.48 -27.12 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.84 26.37 27.03 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.734 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.3 m -87.78 136.87 32.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.942 0.401 . . . . 0.0 110.511 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.6 pt -108.99 136.15 45.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.627 HG12 ' HB ' ' A' ' 2' ' ' THR . 63.8 mt -118.25 127.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 110.773 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 pt -120.47 151.22 53.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.536 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.55 36.64 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.228 2.619 . . . . 0.0 112.804 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.89 146.67 18.5 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.81 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -78.0 172.93 12.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.208 0.528 . . . . 0.0 111.291 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -152.92 136.15 9.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.758 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.57 138.31 80.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.082 . . . . 0.0 111.545 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.33 -43.79 95.45 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.374 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.53 -46.1 80.78 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.86 0.362 . . . . 0.0 111.338 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.2 m-85 -92.52 10.21 31.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.89 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.78 86.7 7.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.963 0.411 . . . . 0.0 110.377 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -178.594 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.439 ' HB ' HG13 ' A' ' 35' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.821 0.343 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -107.86 109.64 21.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.182 0.515 . . . . 0.0 110.069 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.46 97.04 6.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.055 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.82 134.56 19.79 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.8 Cg_exo -81.18 165.11 19.27 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.678 2.252 . . . . 0.0 111.32 171.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t 57.24 126.34 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.922 0.868 . . . . 0.0 113.239 -177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.38 -28.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.496 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.0 -44.82 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -66.36 -33.73 76.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -55.24 -46.97 76.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.236 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 t -65.18 -46.73 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.237 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -53.01 -47.46 68.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -58.52 -47.45 84.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.664 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.7 t -75.73 -27.47 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.029 0.442 . . . . 0.0 110.6 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.0 t -65.98 -19.81 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -85.88 2.17 47.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.006 0.431 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -79.04 -49.82 1.46 Allowed Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 176.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.4 Cg_exo -70.06 164.71 33.83 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.662 1.574 . . . . 0.0 112.114 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.22 48.65 3.4 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.999 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -107.39 145.95 32.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.67 134.12 62.36 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.79 2.326 . . . . 0.0 112.877 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -62.61 -35.84 80.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.87 71.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.515 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -71.16 -44.96 64.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.6 -36.53 76.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.661 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -53.68 16.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.417 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -59.64 -40.32 87.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.77 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.84 -33.43 75.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 111.354 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.506 ' HB ' ' HB1' ' A' ' 9' ' ' ALA . 27.2 p -91.77 -9.46 43.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.29 64.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.684 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 t -88.57 143.57 26.87 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.4 pt -113.77 137.93 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.075 0.464 . . . . 0.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -109.94 107.39 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.752 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.439 HG13 ' HB ' ' A' ' 1' ' ' THR . 10.7 pt -119.63 131.35 24.42 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 10.1 Cg_exo -73.38 -15.1 25.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.3 177.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.06 169.16 25.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.41 144.79 0.07 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.542 0.687 . . . . 0.0 111.032 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -86.19 173.46 9.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.432 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' HG22 ' A' ' 1' ' ' THR . 73.0 m -82.73 139.87 43.78 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.864 0.364 . . . . 0.0 111.278 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.12 147.82 91.78 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.627 2.218 . . . . 0.0 110.663 171.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.12 -54.23 27.15 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 121.316 -0.469 . . . . 0.0 113.499 -174.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.39 -8.87 58.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 0.0 111.505 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -107.71 9.0 29.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.207 0.527 . . . . 0.0 110.155 -174.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.95 88.56 2.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.869 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.458 0.17 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.793 HG23 HG12 ' A' ' 34' ' ' ILE . 3.4 m -79.69 111.11 15.67 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 63.8 m -131.49 109.16 10.08 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.682 0.753 . . . . 0.0 110.903 -173.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 75.2 m -105.75 167.11 10.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.829 -174.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 31.6 Cg_endo -66.57 -156.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.822 2.348 . . . . 0.0 111.842 170.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -38.96 137.67 0.64 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.649 0.593 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.5 mt -42.18 -41.04 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -172.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.4 -34.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 111.553 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.55 80.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.328 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 50.5 ttp85 -72.82 -26.59 61.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 0.0 110.15 -178.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 t -61.5 -45.19 95.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.468 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -66.3 -21.23 66.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.419 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 39.5 t80 -63.81 -38.48 91.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.355 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.8 -28.57 69.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.28 -52.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.483 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.498 ' O ' ' HB ' ' A' ' 21' ' ' THR . 2.2 t -59.79 -41.55 91.43 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 120.991 0.424 . . . . 0.0 112.095 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' HD3' ' HB3' ' A' ' 23' ' ' GLU . 28.6 tpt85 -82.11 -6.96 59.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.358 -170.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.5 tp -68.71 -53.63 15.35 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 2.9 Cg_exo -76.86 0.94 9.13 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.373 2.049 . . . . 0.0 112.781 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.5 16.83 54.47 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.324 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 30.4 m -67.14 137.09 94.15 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.71 120.55 4.75 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.292 2.661 . . . . 0.0 113.117 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.722 ' HB3' ' HD3' ' A' ' 17' ' ' ARG . 9.8 pt-20 -71.34 -32.53 68.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.356 -175.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.61 78.44 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.63 -48.8 79.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.25 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.89 -37.24 85.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.95 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.5 . . . . 0.0 111.603 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -75.94 -28.35 57.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.037 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -91.6 -36.64 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -85.86 -17.11 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.055 0.455 . . . . 0.0 110.601 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 40.03 8.55 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.42 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -110.62 153.02 25.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.8 pt -115.35 133.83 60.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.183 0.516 . . . . 0.0 110.463 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 2' ' ' THR . 62.4 mt -119.96 97.45 5.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.956 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 33.7 pt -113.8 154.87 45.76 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.891 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 1.5 Cg_endo -83.72 13.91 2.55 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.111 2.541 . . . . 0.0 111.642 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.08 176.18 18.34 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.291 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.38 -19.69 13.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.824 0.345 . . . . 0.0 111.087 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -78.28 92.62 4.53 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 111.558 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.7 m -111.57 136.72 21.05 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.37 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.39 163.96 34.46 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.568 2.179 . . . . 0.0 112.175 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.8 -15.35 78.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.489 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.75 -48.87 57.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.142 0.496 . . . . 0.0 110.321 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 78.9 m-85 -105.07 65.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.18 87.42 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.5 HD22 ' HA ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.135 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.596 0.236 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 34' ' ' ILE . 18.7 m -111.39 119.8 40.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -122.82 137.74 54.84 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.732 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 83.5 m -120.24 175.09 2.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 32.0 Cg_exo -60.74 -150.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.837 2.358 . . . . 0.0 111.454 166.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -53.76 164.09 0.61 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.23 0.538 . . . . 0.0 111.44 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.68 -29.44 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.613 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.31 -38.57 82.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.138 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.94 97.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.358 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.79 -46.94 77.87 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.706 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.045 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -67.92 -28.3 67.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.414 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.81 -54.28 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.601 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -72.63 -32.86 66.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.613 0.244 . . . . 0.0 111.226 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -70.39 -24.86 26.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.093 0.473 . . . . 0.0 110.67 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.7 t -66.56 -36.71 83.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.344 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.669 ' HD2' ' HB2' ' A' ' 23' ' ' GLU . 52.3 ttt180 -82.67 -8.54 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.222 0.534 . . . . 0.0 110.76 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 55.1 tp -60.11 -53.92 60.39 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.914 -178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 37.2 Cg_endo -66.11 -15.69 49.43 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.971 1.781 . . . . 0.0 113.061 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.56 6.1 10.74 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.889 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -69.38 130.57 90.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.1 Cg_exo -50.14 130.56 28.51 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.191 2.594 . . . . 0.0 113.102 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . 38.6 tt0 -52.4 -43.83 64.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.445 -178.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.07 91.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.71 -45.56 91.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.98 -39.43 94.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.744 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.85 63.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.3 m -65.19 -33.06 75.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.485 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.67 -36.27 57.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.272 . . . . 0.0 111.257 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -93.12 -23.05 18.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.555 -172.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.39 24.94 6.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.748 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.24 137.94 34.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.791 0.329 . . . . 0.0 110.447 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.3 pt -113.06 136.48 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 2' ' ' THR . 53.1 mt -114.83 100.12 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 38' ' ' ALA . 22.0 pt -95.57 142.98 25.34 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -62.84 -44.66 15.68 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.252 1.968 . . . . 0.0 111.467 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.05 133.74 2.43 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.718 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' HD12 ' A' ' 35' ' ' ILE . . . 175.22 -97.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.016 0.526 . . . . 0.0 110.386 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -176.61 159.47 1.87 Allowed 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.685 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 67.0 m -124.81 112.08 27.23 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' A' ' 43' ' ' ASP . 10.8 Cg_endo -55.99 151.69 40.56 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.969 2.446 . . . . 0.0 112.353 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.84 36.39 0.73 Allowed Glycine 0 C--O 1.228 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.565 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 41' ' ' PRO . 24.5 t70 -122.34 -32.27 3.67 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.41 26.24 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.413 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.18 86.3 2.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.871 0.367 . . . . 0.0 111.644 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.561 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 89.0 m-20 . . . . . 0 C--O 1.244 0.766 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 34' ' ' ILE . 12.0 t . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.422 HG23 HG12 ' A' ' 34' ' ' ILE . 3.7 m -72.44 120.99 18.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.587 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.21 130.81 43.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 79.2 m -97.79 160.85 27.55 Favored Pre-proline 0 C--N 1.32 -0.717 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.271 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.24 -76.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 123.122 2.548 . . . . 0.0 114.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -117.43 177.97 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.444 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.675 HG13 HD21 ' A' ' 46' ' ' ASN . 3.8 mp -57.65 -46.11 86.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.366 -170.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -59.51 -40.16 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.948 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 12.2 tpt180 -67.03 -38.04 85.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.116 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.4 t -62.08 -49.59 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.991 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.75 -36.09 80.0 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.08 -49.03 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.2 -40.09 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' SER . 96.2 t -64.7 -36.53 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -65.14 -39.07 92.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 13.4 ttp85 -78.85 -16.47 57.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.423 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 52.6 tp -54.24 -52.25 70.52 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 26.4 Cg_endo -62.33 -16.26 50.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.695 2.263 . . . . 0.0 113.032 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.15 26.81 2.85 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.901 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 32.9 m -92.92 129.06 41.11 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.657 0.265 . . . . 0.0 110.543 177.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 43.8 Cg_exo -58.28 154.45 40.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.445 2.763 . . . . 0.0 113.219 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 4.9 mt-10 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.678 -176.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.45 75.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.599 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.36 -41.31 80.86 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.07 0.462 . . . . 0.0 110.876 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -49.06 77.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -61.81 -36.18 80.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 111.198 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -78.07 -37.6 46.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.472 -174.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 t -94.87 -6.03 43.63 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.259 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.1 35.61 26.8 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.44 153.52 18.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 pt -116.82 149.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.907 -170.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 HG23 ' A' ' 1' ' ' THR . 68.3 mt -135.87 131.79 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 pt -118.88 158.16 48.46 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.55 -34.85 73.89 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.81 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.54 142.65 31.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.349 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.99 47.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 0.0 111.085 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.3 m -149.77 132.78 16.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.481 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.44 119.79 51.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.24 145.97 97.41 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.965 2.443 . . . . 0.0 112.273 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.56 65.38 3.68 Favored Glycine 0 CA--C 1.51 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.517 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -157.12 -37.23 0.07 Allowed 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.11 19.93 16.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.009 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 88.83 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.809 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.675 HD21 HG13 ' A' ' 7' ' ' ILE . 16.1 t-20 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.572 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -91.56 126.91 36.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.129 0.49 . . . . 0.0 110.963 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -125.96 111.72 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.206 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.3 m -99.69 159.0 31.12 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.23 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.68 -144.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.415 2.743 . . . . 0.0 112.382 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -48.76 154.94 0.63 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.163 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mt -52.1 -34.83 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.727 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.16 -36.24 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -68.95 -31.27 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 -178.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 10' ' ' ARG . 2.8 tpp85 -58.05 -47.44 83.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -64.46 -43.44 94.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.152 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.46 -39.77 94.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.38 -41.49 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.614 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -30.07 70.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.826 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.17 -39.45 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.656 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 43.9 t -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 17.1 ttp180 -84.69 -3.41 58.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.603 0.24 . . . . 0.0 111.337 -174.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.512 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 61.3 tp -65.69 -51.16 51.38 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 3.4 Cg_exo -76.06 22.73 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.46 2.107 . . . . 0.0 112.884 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.76 30.33 59.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.287 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -84.82 136.17 39.28 Favored Pre-proline 0 C--N 1.318 -0.786 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.89 136.04 35.99 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.999 2.466 . . . . 0.0 112.938 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -71.52 -35.05 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.827 -174.64 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.18 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -66.94 -44.69 79.98 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.0 m -67.2 -29.83 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.98 40.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 0.0 110.476 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 m -64.97 -36.82 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -63.53 -36.13 82.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.527 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.447 HG22 ' HB1' ' A' ' 9' ' ' ALA . 1.8 m -98.46 -11.2 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.257 0.551 . . . . 0.0 110.715 -175.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.68 26.49 58.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.088 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -95.22 138.82 32.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 pt -115.01 162.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.027 0.442 . . . . 0.0 111.455 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.27 124.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.428 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.492 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.0 pt -110.65 129.56 23.83 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 7.4 Cg_exo -74.62 -10.58 21.94 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.854 2.369 . . . . 0.0 112.22 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.91 178.72 40.5 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.96 143.29 0.07 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.642 0.777 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -71.55 152.39 43.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.806 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -92.12 123.3 63.09 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.714 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.06 142.44 98.4 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.835 2.357 . . . . 0.0 111.515 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . -56.7 -23.14 42.92 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.491 -176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.62 -33.1 74.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -117.6 9.97 13.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . . . -102.25 87.4 3.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.876 -177.212 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.55 0.214 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -92.74 124.2 36.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.837 0.351 . . . . 0.0 110.494 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 63.9 m -117.67 107.59 14.4 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.95 179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 92.6 m -94.37 164.42 20.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 111.256 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 9' ' ' ALA . 29.0 Cg_endo -67.63 -154.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.867 2.378 . . . . 0.0 111.848 171.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -45.06 154.68 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.341 0.591 . . . . 0.0 112.53 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -49.44 -38.1 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.823 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.68 -46.98 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.214 0.53 . . . . 0.0 110.288 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -65.7 -35.05 79.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 176.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 46' ' ' ASN . 41.4 ttt180 -57.49 -46.47 83.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.165 0.507 . . . . 0.0 110.219 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 15' ' ' VAL . 24.5 m -62.68 -41.04 98.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.873 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -60.93 -43.09 99.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.315 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.61 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.088 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -63.69 -44.72 92.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.508 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 11' ' ' SER . 98.0 t -67.88 -38.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.8 t -58.39 -43.79 88.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 21' ' ' THR . 35.7 ttt180 -83.32 -10.86 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.491 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.8 tt -59.84 -51.02 83.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.806 -176.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 73.1 Cg_endo -75.16 18.65 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 122.288 1.992 . . . . 0.0 113.785 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.05 40.77 6.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.817 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 4.1 m -101.01 135.41 19.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.02 131.38 25.59 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 0.0 112.845 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -44.25 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.025 -177.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.67 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.46 -48.36 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.007 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -67.66 -37.23 82.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.016 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.85 78.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.72 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.24 -36.32 83.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.02 0.438 . . . . 0.0 110.741 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.472 HG22 ' HB1' ' A' ' 9' ' ' ALA . 1.9 m -95.77 -23.59 16.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.578 -172.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.15 37.04 4.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.844 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.91 140.67 29.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.672 -0.311 . . . . 0.0 110.243 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -106.91 139.4 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 0.0 110.591 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.7 mp -103.91 134.75 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.671 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 pt -124.83 142.61 41.4 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.37 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.23 -28.04 48.14 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.42 2.08 . . . . 0.0 111.51 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.52 -140.24 6.42 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 69.31 22.48 6.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.464 0.705 . . . . 0.0 111.539 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 m 64.06 130.75 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.733 0.778 . . . . 0.0 112.999 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.9 t -90.08 125.98 58.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.731 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.9 Cg_exo -58.8 149.2 79.3 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.697 2.265 . . . . 0.0 111.987 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.8 58.08 Favored Glycine 0 CA--C 1.516 0.128 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.62 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.62 -23.89 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.223 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.554 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 86.3 m-85 -124.08 17.29 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.976 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.99 84.3 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.627 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.432 ' HB3' ' HB2' ' A' ' 10' ' ' ARG . 49.4 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.02 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.547 ' HB ' HG13 ' A' ' 35' ' ' ILE . 3.7 m . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m -130.74 130.28 43.58 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.59 116.53 13.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 67.7 m -100.4 161.61 23.49 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.212 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 44' ' ' TYR . 24.5 Cg_exo -66.26 -150.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.832 2.355 . . . . 0.0 110.782 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -38.94 136.97 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.71 0.404 . . . . 0.0 111.127 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -44.53 -37.01 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.496 -171.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -49.72 -46.17 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.889 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.8 78.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.28 0.562 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 57.7 ttt180 -67.87 -41.1 83.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.882 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 m -61.92 -43.85 97.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -64.46 -45.57 86.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.949 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.32 -45.37 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -63.02 -46.15 88.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.2 -176.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.53 -36.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.876 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' HB ' ' A' ' 21' ' ' THR . 54.0 t -65.19 -40.4 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -83.81 10.32 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.034 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.5 tm? -80.59 -55.01 0.75 Allowed Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.449 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 5.0 Cg_exo -77.8 31.48 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.548 2.165 . . . . 0.0 113.439 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.29 28.91 61.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 32.3 m -91.22 131.71 36.0 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -44.82 126.88 7.78 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.22 2.613 . . . . 0.0 113.411 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.7 mp0 -54.17 -47.33 72.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.86 -177.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.42 84.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.811 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.23 -38.99 92.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.082 0.468 . . . . 0.0 110.454 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.6 m -77.26 -29.7 54.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.481 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.75 -45.34 71.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.752 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -66.62 -26.02 66.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.438 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -78.47 -33.56 48.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.456 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -95.11 -35.7 11.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.016 -176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.81 25.82 7.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.517 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.4 t -96.68 148.4 22.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.0 pt -110.41 146.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.223 0.535 . . . . 0.0 111.824 -175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.4 mt -119.76 122.08 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.585 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.547 HG13 ' HB ' ' A' ' 1' ' ' THR . 21.1 pt -134.04 153.57 79.77 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.658 -175.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -91.82 77.4 0.48 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.493 2.795 . . . . 0.0 111.569 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.82 4.48 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.293 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.17 -32.69 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 t -130.34 -173.78 3.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 120.737 0.303 . . . . 0.0 110.681 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.4 m -117.02 157.5 46.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HG2' ' HE1' ' A' ' 44' ' ' TYR . 21.1 Cg_exo -66.19 176.74 3.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.892 2.395 . . . . 0.0 112.223 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.29 -28.98 23.57 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.448 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.62 -52.05 59.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.231 0.538 . . . . 0.0 110.192 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.576 ' HE1' ' HG2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -129.88 99.54 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.771 177.429 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.81 86.32 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.758 173.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.124 -179.27 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.549 ' HB ' HG13 ' A' ' 35' ' ' ILE . 5.3 m . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -123.48 138.94 54.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.096 0.474 . . . . 0.0 109.997 174.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.6 m -134.9 145.71 48.5 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.222 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 m -127.92 150.34 73.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -73.24 150.85 48.09 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.318 2.012 . . . . 0.0 112.181 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t 50.96 175.95 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.658 -1.156 . . . . 0.0 112.604 -173.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.84 HD13 ' HB3' ' A' ' 46' ' ' ASN . 27.1 mm -82.72 -32.0 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.309 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.31 -32.57 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.502 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -66.55 -34.32 77.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.178 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.807 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 p -69.17 -38.67 78.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.592 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -62.93 -37.61 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.006 0.431 . . . . 0.0 110.556 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.51 -41.66 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.402 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -63.96 -39.32 93.87 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.747 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -61.47 -38.92 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.931 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 11.9 t -53.8 -46.57 71.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.0 111.88 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -92.68 11.47 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.962 0.41 . . . . 0.0 111.514 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.0 tt -75.26 -55.04 2.3 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.543 177.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 73.1 Cg_endo -77.43 -41.17 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.642 1.561 . . . . 0.0 111.952 176.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.83 46.22 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.984 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.476 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 44.1 m -93.16 138.13 23.32 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 82.7 Cg_exo -46.56 121.05 4.37 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.809 2.339 . . . . 0.0 113.414 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -51.59 -50.64 59.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.257 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.48 97.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.533 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.655 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.7 tt -55.31 -45.9 76.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 110.49 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.0 m -74.09 -34.17 63.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.242 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.35 65.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 m -63.04 -40.81 98.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.39 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -81.85 -38.71 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 0.0 110.75 -174.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.549 HG22 ' HB1' ' A' ' 9' ' ' ALA . 4.2 m -81.4 -5.78 58.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.499 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.79 36.46 52.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.394 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.09 143.87 25.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -98.1 155.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.71 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -126.63 109.36 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.549 HG13 ' HB ' ' A' ' 1' ' ' THR . 18.4 pt -117.46 134.13 23.17 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.321 176.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.77 -27.96 81.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.975 2.45 . . . . 0.0 112.708 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.42 176.48 32.21 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.44 152.76 0.13 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.8 t -100.14 156.46 17.18 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.142 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.769 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 60.6 m -85.29 143.69 39.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.618 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.06 152.88 72.88 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.689 2.26 . . . . 0.0 111.579 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.27 -22.23 62.92 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 113.685 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.57 -38.88 92.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.428 . . . . 0.0 111.02 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.14 -39.07 8.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.504 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.769 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . . . -79.1 110.06 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 110.504 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.84 ' HB3' HD13 ' A' ' 7' ' ' ILE . 6.2 m-20 . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.804 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.629 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 79.3 m . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.45 HG22 ' SG ' ' A' ' 32' ' ' CYS . 29.8 m -114.07 124.72 52.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.585 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.3 m -131.5 128.56 39.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -114.14 152.96 46.33 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 Cg_exo -81.29 164.89 19.15 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.731 2.287 . . . . 0.0 111.516 172.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t 54.98 121.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.181 0.926 . . . . 0.0 113.034 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.69 -30.86 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.386 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.07 -42.93 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -65.85 -42.79 90.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 13' ' ' PHE . 9.5 tmm_? -70.25 -26.06 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.863 0.363 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -60.76 -55.32 34.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.27 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -68.94 -27.16 65.5 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.595 0.236 . . . . 0.0 110.501 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' HB2' HG21 ' A' ' 30' ' ' THR . 67.3 t80 -58.21 -47.49 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 110.749 173.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -66.91 -44.75 79.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.81 -28.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.542 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -64.65 -37.53 87.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.384 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -83.29 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.686 0.279 . . . . 0.0 111.587 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -63.64 -51.4 66.39 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.4 Cg_exo -71.42 2.73 4.18 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.586 2.191 . . . . 0.0 113.036 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.49 25.14 12.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.713 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -84.33 130.26 54.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 7.0 Cg_endo -50.53 138.09 39.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.311 2.674 . . . . 0.0 112.994 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.67 -44.92 93.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.219 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.333 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 1.3 tt -58.36 -54.91 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.6 m -60.74 -33.21 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.423 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.79 89.8 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.871 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.5 m -67.06 -31.26 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.342 0.591 . . . . 0.0 110.653 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -75.32 -25.04 57.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.47 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.593 HG21 ' HB2' ' A' ' 13' ' ' PHE . 7.5 p -105.34 -4.06 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.19 37.68 59.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.604 -1.284 . . . . 0.0 110.61 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.9 t -99.95 153.67 19.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.606 -0.797 . . . . 0.0 110.306 -173.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.2 pt -113.76 143.53 23.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 111.583 -176.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.32 103.37 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.705 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 pt -104.58 150.9 39.05 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.41 -28.5 46.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.302 2.668 . . . . 0.0 112.432 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.79 156.67 49.09 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.864 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.629 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -98.82 12.84 34.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.05 0.452 . . . . 0.0 111.326 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.3 m -152.83 128.11 9.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.317 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 m -101.7 147.55 34.01 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.237 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.04 150.17 85.51 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.565 2.177 . . . . 0.0 111.307 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.46 -11.12 55.83 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.842 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.62 -29.51 70.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.697 0.399 . . . . 0.0 111.388 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 6.8 t80 -141.31 30.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.667 -173.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.99 112.88 13.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 0.0 111.715 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.602 175.222 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 m -92.49 124.58 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.797 0.332 . . . . 0.0 110.291 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -129.68 141.86 50.83 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -109.65 156.08 40.3 Favored Pre-proline 0 C--N 1.319 -0.73 0 O-C-N 122.139 -0.35 . . . . 0.0 110.377 -177.413 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 4.8 Cg_exo -82.19 153.56 16.46 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.536 2.157 . . . . 0.0 111.721 170.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t 56.78 152.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.911 -1.04 . . . . 0.0 113.562 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm -70.68 -32.22 48.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.117 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.28 -39.82 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.964 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.04 84.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.234 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.59 -50.17 74.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.883 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.0 m -60.6 -38.0 83.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.337 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -72.93 -33.64 66.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.111 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -63.78 -41.11 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.031 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.97 -39.56 90.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' SER . 68.6 t -61.38 -37.06 76.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -72.9 -36.8 67.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.9 tpt180 -75.55 -27.28 58.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.428 -176.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.1 tp -52.74 -53.09 58.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 55.3 Cg_endo -70.86 -4.99 15.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.656 1.57 . . . . 0.0 113.322 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.19 49.64 1.7 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.564 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -101.73 133.68 20.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 143.47 60.87 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.932 2.422 . . . . 0.0 112.042 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.8 pm0 -63.86 -33.79 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.96 88.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.07 0.462 . . . . 0.0 110.458 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.48 -47.65 75.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.17 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.39 -47.09 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.63 -37.47 65.69 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -67.6 -27.98 67.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.226 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -86.56 -37.42 18.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.648 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.66 -24.43 29.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.019 0.438 . . . . 0.0 111.598 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.63 31.12 8.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.248 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.3 m -83.97 150.2 25.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 pt -98.78 136.94 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 0.0 110.13 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -110.78 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.144 0.497 . . . . 0.0 110.086 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.1 pt -114.09 150.89 44.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.545 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.46 -19.92 36.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.032 2.488 . . . . 0.0 111.904 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.49 152.25 52.56 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.75 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.874 0.369 . . . . 0.0 110.611 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.1 m -102.4 115.7 31.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.02 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 97.5 m -90.61 132.42 35.15 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 38.9 Cg_exo -58.97 138.14 83.88 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.511 2.141 . . . . 0.0 111.296 177.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.67 -26.28 38.81 Favored Glycine 0 C--N 1.329 0.19 0 O-C-N 123.609 0.568 . . . . 0.0 112.876 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.86 -28.93 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.732 0.413 . . . . 0.0 111.378 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -136.8 18.81 3.05 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.015 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.64 94.02 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.931 0.396 . . . . 0.0 111.967 -175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 14.4 m-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.215 -0.898 . . . . 0.0 108.908 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -121.97 148.57 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.996 0.427 . . . . 0.0 110.79 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -115.38 129.58 56.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.606 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.9 m -111.14 118.54 47.63 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.747 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.83 -70.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.382 2.721 . . . . 0.0 112.175 173.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -72.94 140.28 47.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.093 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 46' ' ' ASN . 50.9 mt -70.97 -24.75 24.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.525 0.679 . . . . 0.0 109.742 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.18 -32.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.9 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.23 72.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.053 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -55.86 -51.73 66.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.24 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -64.14 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.748 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -62.01 -39.45 92.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.564 0.221 . . . . 0.0 111.315 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 56.3 t80 -61.62 -45.59 93.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.66 -34.96 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.671 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.75 -37.41 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.113 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -65.91 -43.62 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.602 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 21' ' ' THR . 14.3 ttp180 -85.67 -8.32 58.28 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.664 -176.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.8 tm? -54.46 -50.86 82.83 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.634 -178.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.3 Cg_exo -71.51 7.31 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.268 1.978 . . . . 0.0 113.144 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.75 34.16 8.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.662 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 39.6 m -89.19 133.57 34.83 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -48.27 132.37 23.69 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.328 2.686 . . . . 0.0 112.588 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 9.8 pt-20 -59.42 -35.06 73.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.221 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' HD11 ' A' ' 34' ' ' ILE . . . -60.15 -46.73 88.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.025 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.07 -42.78 95.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.413 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -75.9 -40.69 53.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.444 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.21 -56.07 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.392 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.1 m -61.56 -29.76 70.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.686 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.12 -37.1 34.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -87.63 -39.22 15.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 -173.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 31.72 0.7 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.224 -0.989 . . . . 0.0 113.058 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -113.32 142.96 45.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.7 pt -98.44 147.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.482 0.182 . . . . 0.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 24' ' ' ALA . 54.2 mt -114.48 135.08 55.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.079 0.466 . . . . 0.0 110.721 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 pt -127.93 153.78 78.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.028 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.31 40.78 0.63 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.809 2.339 . . . . 0.0 112.507 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.29 153.64 22.01 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.764 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.44 1.53 54.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.861 0.363 . . . . 0.0 111.24 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -132.07 146.4 52.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.4 m -110.24 149.66 40.44 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.114 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 13.3 Cg_endo -58.43 141.18 96.93 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.811 2.341 . . . . 0.0 111.704 174.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.47 -40.2 76.67 Favored Glycine 0 CA--C 1.518 0.241 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.199 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.57 -31.92 72.81 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.531 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 69.5 m-85 -104.22 22.57 14.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 -176.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.24 85.42 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.302 0.573 . . . . 0.0 109.767 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' HG12 ' A' ' 7' ' ' ILE . 23.9 m-80 . . . . . 0 C--O 1.242 0.69 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.051 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.47 ' O ' HG12 ' A' ' 35' ' ' ILE . 28.1 m . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.582 HG23 HG12 ' A' ' 34' ' ' ILE . 7.2 m -74.96 120.8 20.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.783 0.325 . . . . 0.0 110.294 176.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.02 122.3 37.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.9 m -104.2 156.44 35.75 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 120.717 0.294 . . . . 0.0 110.762 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 47.2 Cg_endo -73.07 -154.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.826 2.351 . . . . 0.0 111.737 172.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -31.49 135.24 0.07 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.022 0.826 . . . . 0.0 112.415 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -45.62 -38.07 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -51.98 -32.11 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.082 0.467 . . . . 0.0 111.443 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.67 75.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 10' ' ' ARG . 19.3 ttm-85 -60.52 -39.15 86.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.913 0.387 . . . . 0.0 110.196 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.3 m -57.72 -57.7 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.302 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.5 -37.34 86.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.56 -41.38 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.231 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -71.28 -38.39 71.84 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 122.205 -0.309 . . . . 0.0 111.224 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 11' ' ' SER . 58.8 t -64.02 -34.74 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.066 0.46 . . . . 0.0 110.246 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 47.4 t -65.44 -34.41 78.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.578 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 68.2 mtm180 -84.39 -6.89 59.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -60.19 -50.75 84.61 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.509 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.8 Cg_exo -71.54 -6.17 18.58 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.112 1.875 . . . . 0.0 112.305 178.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.77 15.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.641 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -71.54 134.15 84.48 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.21 142.9 66.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.991 2.46 . . . . 0.0 112.858 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 40.8 mt-10 -62.43 -38.51 90.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.61 81.01 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 111.068 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.88 -55.02 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.249 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.5 m -58.8 -41.65 87.24 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.937 0.399 . . . . 0.0 111.072 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 m -81.3 -32.69 33.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.35 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 -42.89 16.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.51 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -88.27 -51.99 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.217 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.83 85.69 0.28 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 t -164.92 158.05 16.75 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.63 147.68 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.314 0.578 . . . . 0.0 111.131 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.582 HG12 HG23 ' A' ' 2' ' ' THR . 73.5 mt -121.89 107.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 1' ' ' THR . 23.0 pt -86.66 146.33 41.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.247 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 31.2 Cg_exo -59.33 -39.62 75.61 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.242 2.628 . . . . 0.0 113.005 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.3 176.88 25.93 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.26 141.08 0.06 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.61 0.719 . . . . 0.0 111.14 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 169.31 18.49 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.403 178.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.1 m -81.25 117.67 69.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.99 155.16 57.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.488 2.125 . . . . 0.0 111.625 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.09 -23.85 53.22 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.775 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.0 -38.91 90.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.115 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -128.61 35.38 4.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.615 0.721 . . . . 0.0 109.993 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -91.91 84.95 5.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.245 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.027 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 9.4 t -96.75 136.58 37.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -127.33 108.86 11.22 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.9 m -94.23 167.88 12.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.144 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 24.1 Cg_exo -66.12 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.399 2.066 . . . . 0.0 112.261 172.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -59.32 170.75 0.9 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.93 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.55 -49.22 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.983 -172.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.3 t -63.79 -47.54 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 110.997 -175.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' PRO . . . -62.39 -38.72 90.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.833 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 79.0 ttt180 -62.65 -38.06 88.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 m -65.14 -41.15 95.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.576 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -58.78 -39.85 82.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.451 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.6 t80 -61.54 -42.01 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.659 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -72.03 -43.14 65.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.98 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.83 -35.87 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.065 0.459 . . . . 0.0 110.973 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -65.24 -23.67 67.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.669 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 78.8 mtm180 -92.65 10.61 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.096 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -76.49 -52.44 2.25 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 87.0 Cg_endo -81.14 -168.33 0.61 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.198 1.932 . . . . 0.0 112.784 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.48 55.73 4.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.124 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -112.63 130.11 23.75 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -50.88 124.16 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.063 2.509 . . . . 0.0 112.936 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HG3' ' HD3' ' A' ' 17' ' ' ARG . 35.6 tt0 -57.47 -40.38 78.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.93 79.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.83 -47.06 82.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.706 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.2 m -60.52 -37.99 82.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.311 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -62.14 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -62.04 -30.52 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -73.2 -26.09 61.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.065 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.3 p -100.28 -9.32 22.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.369 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.99 19.42 63.06 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.374 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -96.02 136.79 36.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -108.45 140.29 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 55.4 mt -114.15 100.13 10.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.687 176.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 pt -99.19 150.99 37.23 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.295 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.43 -10.81 28.82 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.828 2.352 . . . . 0.0 111.632 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.45 173.95 39.36 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.937 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.8 -35.68 7.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.559 0.219 . . . . 0.0 111.277 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -99.39 132.76 44.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.213 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.3 m -83.14 150.58 61.44 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.677 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HB2' ' HD1' ' A' ' 44' ' ' TYR . 52.3 Cg_exo -56.24 147.44 66.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 111.932 174.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.44 88.02 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.749 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.22 -37.25 69.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 0.0 110.285 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.473 ' HD1' ' HB2' ' A' ' 41' ' ' PRO . 93.2 m-85 -89.88 37.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.805 -176.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.78 87.44 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 111.355 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.708 ' OXT' ' HD2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.338 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -126.67 148.84 49.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.577 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 33' ' ' ILE . 97.0 m -132.68 120.35 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.443 ' SG ' ' HD2' ' A' ' 10' ' ' ARG . 95.8 m -98.33 142.74 25.08 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.929 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 41.7 Cg_exo -44.06 -71.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.899 3.066 . . . . 0.0 114.655 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t -114.12 169.74 8.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.766 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.522 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 53.0 mt -51.54 -44.65 34.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.169 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.4 -39.11 84.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.314 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.46 92.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 11.7 tpt180 -68.77 -36.88 78.88 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 t -61.68 -47.98 82.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.076 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -56.43 -40.76 75.28 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.343 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.25 -39.78 88.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.382 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -73.5 -43.75 59.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.645 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.81 -33.07 56.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.38 -23.73 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.479 . . . . 0.0 111.033 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 9.2 mmm180 -87.83 0.63 55.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.764 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -74.38 -54.08 3.32 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 -179.007 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 8.1 Cg_exo -73.6 -4.26 15.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.389 2.059 . . . . 0.0 112.557 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.58 47.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.237 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 6.0 m -67.18 129.61 93.83 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.81 134.9 67.44 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.336 2.69 . . . . 0.0 112.919 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.3 pm0 -64.73 -33.4 75.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.818 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.51 69.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.203 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 35.5 tp -85.68 -44.81 12.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.58 -39.19 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.09 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.17 -60.32 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -69.57 -34.93 74.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.335 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 1.8 t80 -63.13 -36.94 85.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.068 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.1 -32.71 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.361 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.75 3.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.515 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -97.93 149.37 22.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 3' ' ' CYS . 37.8 pt -103.51 144.35 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.987 -171.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.2 mt -99.39 120.26 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.159 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.7 pt -113.29 150.71 43.49 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.28 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.99 -53.09 6.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.799 2.333 . . . . 0.0 111.943 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.66 141.99 3.35 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.116 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 76.56 -43.62 0.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 m -78.44 95.2 5.06 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.217 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -137.17 127.46 15.87 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.48 138.45 65.95 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.967 2.445 . . . . 0.0 112.788 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.45 51.94 3.73 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.603 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -170.31 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 13.5 m-85 -94.75 14.66 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.2 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.61 87.76 7.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.468 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.53 ' OXT' ' HD3' ' A' ' 10' ' ' ARG . 22.0 t-20 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.638 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 120.816 0.341 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.424 HG23 HG12 ' A' ' 34' ' ' ILE . 7.1 m -102.82 126.49 49.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.189 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.98 116.57 16.58 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.0 m -94.94 161.9 26.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.734 0.302 . . . . 0.0 111.378 -174.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 44.8 Cg_exo -45.12 -66.65 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.706 2.937 . . . . 0.0 113.55 175.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -127.97 164.74 21.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.353 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.08 -23.89 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.568 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.77 -38.6 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.46 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.05 90.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -58.4 -44.87 89.16 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 109.981 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 t -63.11 -49.49 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.618 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -64.84 -30.95 71.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.924 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -58.37 -48.55 80.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -64.12 -40.29 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.444 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 61.9 t -67.87 -40.15 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.272 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -64.95 -41.6 95.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.01 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 37.1 ttt180 -80.07 -15.49 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.371 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.9 tt -57.37 -51.47 81.47 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.985 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 9.9 Cg_exo -72.92 8.21 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.636 2.224 . . . . 0.0 113.132 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.15 24.97 9.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.531 -0.843 . . . . 0.0 113.487 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -88.31 130.2 46.73 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 117.123 0.461 . . . . 0.0 110.061 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 11.0 Cg_endo -54.78 138.15 76.07 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.268 2.645 . . . . 0.0 112.769 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 3.2 mp0 -46.04 -55.9 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.624 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.19 72.75 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.948 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -63.33 -44.62 94.37 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.8 m -69.46 -34.63 74.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.72 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.674 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.6 m -61.25 -43.81 98.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.331 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -73.01 -31.41 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -175.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -83.77 -4.92 59.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.35 29.92 69.71 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.245 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 19.1 t -87.06 153.03 21.85 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -118.1 146.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.464 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG12 HG23 ' A' ' 2' ' ' THR . 66.5 mt -121.73 102.99 12.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.689 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.7 pt -100.61 149.96 36.57 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.9 -26.91 43.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.097 2.531 . . . . 0.0 112.189 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.6 -172.97 39.72 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.674 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.28 8.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.192 0.52 . . . . 0.0 110.409 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -80.99 71.57 7.96 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.192 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.729 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -108.24 115.95 57.45 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.646 171.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.77 156.82 55.47 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.0 56.19 2.69 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.548 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -162.83 -40.7 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -94.23 -22.21 18.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.932 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.729 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -77.79 96.91 5.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.719 176.54 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.479 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 87.6 m . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.77 0.319 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.402 HG22 ' SG ' ' A' ' 32' ' ' CYS . 7.6 m -88.11 128.55 35.43 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' O ' HG12 ' A' ' 33' ' ' ILE . 2.7 m -129.83 113.69 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 109.944 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 72.4 m -95.62 152.84 39.43 Favored Pre-proline 0 C--N 1.316 -0.885 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.585 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.55 -74.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 124.006 3.138 . . . . 0.0 114.471 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -135.56 -172.06 2.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.89 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.599 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 63.7 mt -55.67 -43.48 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.313 -172.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.01 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.445 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.07 99.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.644 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 23.4 ttm180 -62.97 -41.78 99.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 15' ' ' VAL . 57.2 m -59.99 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.688 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -71.09 -31.77 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.578 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.51 -45.09 95.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.136 0.493 . . . . 0.0 109.898 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -63.21 -38.72 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 11' ' ' SER . 86.5 t -63.83 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 t -65.46 -46.33 80.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.529 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 21' ' ' THR . 39.8 ttt-85 -82.91 -7.93 59.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.462 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -49.9 -52.26 53.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 44.1 Cg_endo -70.9 2.52 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.356 2.037 . . . . 0.0 113.559 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.27 6.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.861 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.626 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 6.3 m -80.28 138.24 52.28 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.82 145.68 71.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.06 -45.85 86.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.996 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.56 85.14 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.112 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.76 -55.02 38.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.804 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.4 m -66.4 -28.37 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.534 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.28 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.056 0.455 . . . . 0.0 109.982 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -78.12 -29.03 48.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.528 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.83 -42.55 81.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -102.59 -20.3 14.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 111.456 -171.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.21 34.72 6.01 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.1 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' A' ' 2' ' ' THR . 32.3 t -99.84 146.65 26.37 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 3' ' ' CYS . 38.6 pt -110.95 149.06 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.237 0.541 . . . . 0.0 111.737 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.0 mm -106.71 138.96 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.368 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.3 pt -127.07 143.04 45.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.494 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.51 -22.91 58.22 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.871 2.381 . . . . 0.0 111.807 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.57 -175.79 41.38 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.677 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -113.62 -23.69 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.393 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -106.96 117.16 33.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.024 0.44 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.96 136.55 50.58 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.442 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.52 118.47 5.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.565 2.177 . . . . 0.0 111.195 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . -59.21 -20.09 48.81 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 113.428 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.39 -24.46 66.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.596 0.359 . . . . 0.0 110.57 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -145.12 36.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . . . -117.74 100.14 7.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.599 ' OD1' ' HA ' ' A' ' 7' ' ' ILE . 13.2 t-20 . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.758 0.313 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.494 HG22 ' SG ' ' A' ' 32' ' ' CYS . 10.3 m -101.51 131.16 47.82 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -132.67 123.62 26.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.13 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.0 m -103.7 163.65 16.97 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.54 -73.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.302 2.668 . . . . 0.0 113.584 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -92.78 161.25 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.263 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.511 ' CG1' HD21 ' A' ' 46' ' ' ASN . 59.2 mt -67.91 -40.67 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.095 0.474 . . . . 0.0 109.888 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.51 -34.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.608 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.81 84.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.626 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.97 -46.92 79.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.738 0.304 . . . . 0.0 110.606 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.2 m -59.24 -48.56 81.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.11 -29.78 69.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.089 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 23' ' ' GLU . 66.6 t80 -67.89 -38.34 82.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.074 0.464 . . . . 0.0 109.875 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.43 -30.35 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' SER . 80.4 t -60.05 -42.19 88.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.767 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 5.4 t -60.57 -47.34 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.179 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.932 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 29.9 mtp180 -82.85 10.4 7.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.7 tt -80.88 -57.64 0.57 Allowed Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 59.3 Cg_endo -72.72 -20.52 22.81 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.747 1.631 . . . . 0.0 112.045 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.32 63.12 0.49 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.426 -0.893 . . . . 0.0 112.438 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.767 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.5 m -117.37 134.91 23.06 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -50.31 134.62 38.27 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.306 2.671 . . . . 0.0 113.569 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.932 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 33.4 mt-10 -57.31 -50.32 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.353 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.26 78.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.395 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.2 -49.33 78.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.125 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -80.25 -41.98 24.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.014 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -34.68 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.759 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -66.23 -26.14 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -89.59 -37.34 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.666 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -19.41 57.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.367 . . . . 0.0 111.353 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.28 13.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.465 -0.874 . . . . 0.0 110.957 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 2' ' ' THR . 38.5 t -106.43 142.85 35.43 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 pt -103.71 141.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.324 0.583 . . . . 0.0 111.844 -172.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.95 115.76 48.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.885 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 pt -119.86 142.66 33.59 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.83 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 3.3 Cg_exo -77.2 74.32 5.11 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.717 2.278 . . . . 0.0 111.321 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.02 -148.26 6.42 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.839 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.99 19.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 110.91 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 m -124.87 93.61 3.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.102 0.477 . . . . 0.0 110.85 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.1 131.3 24.47 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.23 134.84 61.78 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.247 1.964 . . . . 0.0 111.048 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.99 -30.03 29.18 Favored Glycine 0 CA--C 1.521 0.43 0 O-C-N 123.387 0.429 . . . . 0.0 113.466 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.62 -21.98 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.91 26.34 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.204 0.526 . . . . 0.0 110.657 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.05 96.95 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.066 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.511 HD21 ' CG1' ' A' ' 7' ' ' ILE . 16.8 t-20 . . . . . 0 C--O 1.243 0.742 0 CA-C-O 118.255 -0.879 . . . . 0.0 109.534 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.607 ' HB ' HG23 ' A' ' 35' ' ' ILE . 27.8 m . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 m -108.88 128.87 55.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.806 0.336 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 82.9 m -130.97 142.03 50.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.086 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t -147.47 137.76 12.53 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 6.4 Cg_exo -73.3 156.05 50.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 111.191 175.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t 57.32 129.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.995 0.903 . . . . 0.0 112.721 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.679 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.1 mt -63.13 -28.09 44.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.506 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -67.95 -31.9 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.628 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.85 68.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.76 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' HE ' ' C ' ' A' ' 46' ' ' ASN . 14.1 ttm180 -60.66 -41.19 94.5 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.714 0.292 . . . . 0.0 110.467 176.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.2 t -58.12 -48.92 78.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.64 -33.54 76.14 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -60.26 -45.26 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.71 -41.8 68.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' SER . 93.4 t -63.81 -30.35 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 110.695 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.9 t -60.45 -33.28 72.33 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 59.9 mtp180 -88.9 -5.88 57.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.2 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.2 tp -65.95 -50.11 54.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.79 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.2 Cg_exo -71.62 -31.89 12.76 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.668 1.579 . . . . 0.0 111.791 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 73.32 0.16 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.324 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.9 m -135.17 136.13 24.09 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 68.8 Cg_exo -51.75 140.44 46.93 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.347 2.698 . . . . 0.0 112.98 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.626 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -63.75 -42.12 97.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.332 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.09 99.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 0.0 110.402 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.5 -49.11 79.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.185 178.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -60.82 -44.63 96.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.26 82.54 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -69.43 -27.42 65.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 110.6 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -77.2 -35.85 55.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 p -88.97 -34.74 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.774 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.75 29.63 3.52 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.052 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.94 142.91 28.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.9 150.11 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.092 0.472 . . . . 0.0 111.189 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.97 112.19 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.428 0.632 . . . . 0.0 110.101 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.607 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.4 tt -109.43 128.84 24.7 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.602 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.67 -9.73 19.92 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.457 2.104 . . . . 0.0 112.041 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.512 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -92.38 144.32 17.03 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.247 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 53.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.104 0.478 . . . . 0.0 111.598 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.2 m -154.68 125.44 7.06 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 48.7 t -119.74 136.99 25.14 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.699 0.285 . . . . 0.0 110.486 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 29.5 Cg_exo -61.13 150.71 83.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.081 2.52 . . . . 0.0 111.971 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.52 -29.64 69.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.653 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -83.93 -10.89 57.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.99 0.424 . . . . 0.0 110.724 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.48 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 50.1 m-85 -113.76 14.26 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.647 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 46' ' ' ASN . . . -80.1 85.18 5.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.656 -175.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.5 t30 . . . . . 0 C--O 1.247 0.95 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.091 0.472 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.576 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.2 m -97.34 130.39 44.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.103 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m -126.31 114.62 18.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.53 ' HB2' ' OXT' ' A' ' 46' ' ' ASN . 59.5 m -105.16 160.28 26.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.03 -176.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 6' ' ' SER . 64.1 Cg_exo -57.51 -113.55 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 123.647 2.898 . . . . 0.0 113.394 175.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 18.8 t -75.34 169.45 18.04 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 121.362 -0.836 . . . . 0.0 110.609 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.925 ' HA ' HD21 ' A' ' 46' ' ' ASN . 43.9 mt -58.68 -37.28 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.621 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -52.59 -40.44 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.474 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.74 -14.7 63.17 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.685 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -97.96 -40.83 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.953 0.406 . . . . 0.0 110.468 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -57.75 -39.62 77.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.51 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -83.56 -27.73 29.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.87 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -62.99 -41.36 99.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -67.18 -16.85 64.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.225 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.15 -46.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.91 -30.7 70.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.618 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.527 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 14.7 tpt180 -94.53 8.31 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 110.726 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -63.67 -52.05 61.47 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 93.2 Cg_endo -89.74 -166.72 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.744 1.629 . . . . 0.0 112.553 176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.11 58.11 3.98 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.42 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -106.18 134.87 19.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.629 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 94.3 Cg_exo -46.31 133.98 15.68 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.247 2.631 . . . . 0.0 112.812 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 6.5 mt-10 -74.38 -41.22 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 -173.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.27 83.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.872 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.3 tt -53.37 -55.88 21.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.204 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 m -66.37 -39.88 89.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.05 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.75 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.526 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.3 m -67.16 -29.58 69.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -71.51 -35.32 70.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.7 p -90.97 -28.88 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.92 24.65 8.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.605 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.576 ' SG ' HG22 ' A' ' 2' ' ' THR . 46.1 t -93.47 154.61 17.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -115.53 139.57 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.178 0.513 . . . . 0.0 111.543 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 HG23 ' A' ' 2' ' ' THR . 72.9 mt -111.37 112.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.896 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 pt -106.46 137.81 19.55 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.039 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.74 -18.17 62.88 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.992 2.462 . . . . 0.0 113.131 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.16 166.97 12.75 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.463 -0.399 . . . . 0.0 113.212 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.13 -23.04 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.911 0.386 . . . . 0.0 110.725 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -109.96 166.9 10.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.906 0.384 . . . . 0.0 110.55 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.4 t -152.38 128.05 5.02 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.54 135.46 66.52 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.046 2.497 . . . . 0.0 112.542 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.79 -28.13 65.23 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 113.566 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.93 -22.18 66.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.832 0.348 . . . . 0.0 111.402 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -132.39 23.65 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.701 . . . . 0.0 109.33 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.5 89.0 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.18 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.925 HD21 ' HA ' ' A' ' 7' ' ' ILE . 2.4 t30 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.116 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.714 0.293 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.627 ' HB ' HG12 ' A' ' 34' ' ' ILE . 5.4 t -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 38.8 m -125.26 131.83 53.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.846 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 89.2 m -115.76 154.32 48.08 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.494 -174.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.99 -71.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.261 2.641 . . . . 0.0 113.306 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -114.98 168.76 9.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.499 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.56 -28.52 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.425 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.28 -39.11 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -68.12 -35.61 78.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 35.7 ttm-85 -67.67 -36.74 81.27 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.217 0.532 . . . . 0.0 110.143 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 m -68.88 -41.77 77.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.923 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.44 -27.52 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.353 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 57.4 t80 -55.59 -51.58 66.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 110.654 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.73 -43.77 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.044 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.4 t -63.29 -36.06 82.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.493 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 61.9 mtp180 -91.65 2.87 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 119.641 -0.218 . . . . 0.0 111.343 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.45 -36.65 33.65 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.207 1.938 . . . . 0.0 112.42 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.94 67.35 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.363 -0.923 . . . . 0.0 112.465 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 24.1 m -132.75 132.75 22.75 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' HD2' HD12 ' A' ' 25' ' ' LEU . 31.4 Cg_exo -59.27 143.11 99.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.799 2.333 . . . . 0.0 112.424 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 9.5 pt-20 -58.54 -32.66 69.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.553 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.98 91.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' A' ' 22' ' ' PRO . 39.1 mt -69.72 -34.86 74.45 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.5 m -66.88 -25.99 66.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.654 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -26.11 43.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.404 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -61.4 -53.67 53.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.809 -176.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -77.22 -28.65 53.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -79.48 -27.12 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.84 26.37 27.03 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.734 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.3 m -87.78 136.87 32.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.942 0.401 . . . . 0.0 110.511 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.6 pt -108.99 136.15 45.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.627 HG12 ' HB ' ' A' ' 2' ' ' THR . 63.8 mt -118.25 127.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 110.773 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 pt -120.47 151.22 53.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.536 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.55 36.64 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.228 2.619 . . . . 0.0 112.804 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.89 146.67 18.5 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.81 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -78.0 172.93 12.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.208 0.528 . . . . 0.0 111.291 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -152.92 136.15 9.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.758 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.57 138.31 80.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.082 . . . . 0.0 111.545 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.33 -43.79 95.45 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.374 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.53 -46.1 80.78 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.86 0.362 . . . . 0.0 111.338 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.2 m-85 -92.52 10.21 31.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.89 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.78 86.7 7.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.963 0.411 . . . . 0.0 110.377 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -178.594 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.439 ' HB ' HG13 ' A' ' 35' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.821 0.343 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -107.86 109.64 21.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.182 0.515 . . . . 0.0 110.069 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.46 97.04 6.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.055 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.82 134.56 19.79 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.8 Cg_exo -81.18 165.11 19.27 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.678 2.252 . . . . 0.0 111.32 171.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t 57.24 126.34 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.922 0.868 . . . . 0.0 113.239 -177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.38 -28.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.496 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.0 -44.82 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -66.36 -33.73 76.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -55.24 -46.97 76.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.236 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 t -65.18 -46.73 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.237 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -53.01 -47.46 68.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -58.52 -47.45 84.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.664 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.7 t -75.73 -27.47 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.029 0.442 . . . . 0.0 110.6 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.0 t -65.98 -19.81 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -85.88 2.17 47.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.006 0.431 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -79.04 -49.82 1.46 Allowed Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 176.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.4 Cg_exo -70.06 164.71 33.83 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.662 1.574 . . . . 0.0 112.114 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.22 48.65 3.4 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.999 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -107.39 145.95 32.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.67 134.12 62.36 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.79 2.326 . . . . 0.0 112.877 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -62.61 -35.84 80.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.87 71.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.515 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -71.16 -44.96 64.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.6 -36.53 76.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.661 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -53.68 16.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.417 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -59.64 -40.32 87.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.77 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.84 -33.43 75.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 111.354 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.506 ' HB ' ' HB1' ' A' ' 9' ' ' ALA . 27.2 p -91.77 -9.46 43.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.29 64.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.684 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 t -88.57 143.57 26.87 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.4 pt -113.77 137.93 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.075 0.464 . . . . 0.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -109.94 107.39 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.752 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.439 HG13 ' HB ' ' A' ' 1' ' ' THR . 10.7 pt -119.63 131.35 24.42 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 10.1 Cg_exo -73.38 -15.1 25.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.3 177.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.06 169.16 25.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.41 144.79 0.07 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.542 0.687 . . . . 0.0 111.032 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -86.19 173.46 9.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.432 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' HG22 ' A' ' 1' ' ' THR . 73.0 m -82.73 139.87 43.78 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.864 0.364 . . . . 0.0 111.278 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.12 147.82 91.78 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.627 2.218 . . . . 0.0 110.663 171.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.12 -54.23 27.15 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 121.316 -0.469 . . . . 0.0 113.499 -174.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.39 -8.87 58.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 0.0 111.505 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -107.71 9.0 29.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.207 0.527 . . . . 0.0 110.155 -174.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.95 88.56 2.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.869 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.458 0.17 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.793 HG23 HG12 ' A' ' 34' ' ' ILE . 3.4 m -79.69 111.11 15.67 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 63.8 m -131.49 109.16 10.08 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.682 0.753 . . . . 0.0 110.903 -173.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 75.2 m -105.75 167.11 10.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.829 -174.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 31.6 Cg_endo -66.57 -156.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.822 2.348 . . . . 0.0 111.842 170.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -38.96 137.67 0.64 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.649 0.593 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.5 mt -42.18 -41.04 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -172.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.4 -34.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 111.553 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.55 80.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.328 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 50.5 ttp85 -72.82 -26.59 61.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 0.0 110.15 -178.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 t -61.5 -45.19 95.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.468 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -66.3 -21.23 66.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.419 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 39.5 t80 -63.81 -38.48 91.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.355 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.8 -28.57 69.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.28 -52.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.483 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' O ' ' HB ' ' A' ' 21' ' ' THR . 2.2 t -59.79 -41.55 91.43 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 120.991 0.424 . . . . 0.0 112.095 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' HD3' ' HB3' ' A' ' 23' ' ' GLU . 28.6 tpt85 -82.11 -6.96 59.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.358 -170.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.5 tp -68.71 -53.63 15.35 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 2.9 Cg_exo -76.86 0.94 9.13 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.373 2.049 . . . . 0.0 112.781 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.5 16.83 54.47 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.324 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 30.4 m -67.14 137.09 94.15 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.71 120.55 4.75 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.292 2.661 . . . . 0.0 113.117 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.722 ' HB3' ' HD3' ' A' ' 17' ' ' ARG . 9.8 pt-20 -71.34 -32.53 68.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.356 -175.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.61 78.44 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.63 -48.8 79.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.25 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.89 -37.24 85.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.95 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.5 . . . . 0.0 111.603 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -75.94 -28.35 57.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.037 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -91.6 -36.64 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -85.86 -17.11 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.055 0.455 . . . . 0.0 110.601 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 40.03 8.55 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.42 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -110.62 153.02 25.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.8 pt -115.35 133.83 60.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.183 0.516 . . . . 0.0 110.463 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 2' ' ' THR . 62.4 mt -119.96 97.45 5.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.956 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 33.7 pt -113.8 154.87 45.76 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.891 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 1.5 Cg_endo -83.72 13.91 2.55 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.111 2.541 . . . . 0.0 111.642 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.08 176.18 18.34 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.291 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.38 -19.69 13.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.824 0.345 . . . . 0.0 111.087 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -78.28 92.62 4.53 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 111.558 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.7 m -111.57 136.72 21.05 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.37 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.39 163.96 34.46 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.568 2.179 . . . . 0.0 112.175 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.8 -15.35 78.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.489 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.75 -48.87 57.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.142 0.496 . . . . 0.0 110.321 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 78.9 m-85 -105.07 65.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.18 87.42 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.5 HD22 ' HA ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.135 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.596 0.236 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 34' ' ' ILE . 18.7 m -111.39 119.8 40.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -122.82 137.74 54.84 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.732 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 83.5 m -120.24 175.09 2.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 32.0 Cg_exo -60.74 -150.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.837 2.358 . . . . 0.0 111.454 166.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -53.76 164.09 0.61 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.23 0.538 . . . . 0.0 111.44 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.68 -29.44 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.613 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.31 -38.57 82.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.138 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.94 97.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.358 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.79 -46.94 77.87 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.706 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.045 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -67.92 -28.3 67.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.414 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.81 -54.28 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.601 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -72.63 -32.86 66.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.613 0.244 . . . . 0.0 111.226 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -70.39 -24.86 26.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.093 0.473 . . . . 0.0 110.67 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.7 t -66.56 -36.71 83.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.344 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.669 ' HD2' ' HB2' ' A' ' 23' ' ' GLU . 52.3 ttt180 -82.67 -8.54 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.222 0.534 . . . . 0.0 110.76 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 55.1 tp -60.11 -53.92 60.39 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.914 -178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 37.2 Cg_endo -66.11 -15.69 49.43 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.971 1.781 . . . . 0.0 113.061 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.56 6.1 10.74 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.889 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -69.38 130.57 90.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.1 Cg_exo -50.14 130.56 28.51 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.191 2.594 . . . . 0.0 113.102 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . 38.6 tt0 -52.4 -43.83 64.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.445 -178.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.07 91.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.71 -45.56 91.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.98 -39.43 94.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.744 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.85 63.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.3 m -65.19 -33.06 75.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.485 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.67 -36.27 57.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.272 . . . . 0.0 111.257 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -93.12 -23.05 18.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.555 -172.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.39 24.94 6.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.748 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.24 137.94 34.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.791 0.329 . . . . 0.0 110.447 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.3 pt -113.06 136.48 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 2' ' ' THR . 53.1 mt -114.83 100.12 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 38' ' ' ALA . 22.0 pt -95.57 142.98 25.34 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -62.84 -44.66 15.68 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.252 1.968 . . . . 0.0 111.467 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.05 133.74 2.43 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.718 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' HD12 ' A' ' 35' ' ' ILE . . . 175.22 -97.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.016 0.526 . . . . 0.0 110.386 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -176.61 159.47 1.87 Allowed 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.685 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 67.0 m -124.81 112.08 27.23 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' A' ' 43' ' ' ASP . 10.8 Cg_endo -55.99 151.69 40.56 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.969 2.446 . . . . 0.0 112.353 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.84 36.39 0.73 Allowed Glycine 0 C--O 1.228 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.565 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 41' ' ' PRO . 24.5 t70 -122.34 -32.27 3.67 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.41 26.24 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.413 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.18 86.3 2.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.871 0.367 . . . . 0.0 111.644 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.561 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 89.0 m-20 . . . . . 0 C--O 1.244 0.766 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 34' ' ' ILE . 12.0 t . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.422 HG23 HG12 ' A' ' 34' ' ' ILE . 3.7 m -72.44 120.99 18.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.587 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.21 130.81 43.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 79.2 m -97.79 160.85 27.55 Favored Pre-proline 0 C--N 1.32 -0.717 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.271 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.24 -76.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 123.122 2.548 . . . . 0.0 114.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -117.43 177.97 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.444 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.675 HG13 HD21 ' A' ' 46' ' ' ASN . 3.8 mp -57.65 -46.11 86.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.366 -170.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -59.51 -40.16 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.948 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 12.2 tpt180 -67.03 -38.04 85.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.116 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.4 t -62.08 -49.59 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.991 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.75 -36.09 80.0 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.08 -49.03 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.2 -40.09 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' SER . 96.2 t -64.7 -36.53 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -65.14 -39.07 92.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 13.4 ttp85 -78.85 -16.47 57.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.423 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 52.6 tp -54.24 -52.25 70.52 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 26.4 Cg_endo -62.33 -16.26 50.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.695 2.263 . . . . 0.0 113.032 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.15 26.81 2.85 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.901 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 32.9 m -92.92 129.06 41.11 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.657 0.265 . . . . 0.0 110.543 177.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 43.8 Cg_exo -58.28 154.45 40.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.445 2.763 . . . . 0.0 113.219 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 4.9 mt-10 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.678 -176.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.45 75.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.599 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.36 -41.31 80.86 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.07 0.462 . . . . 0.0 110.876 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -49.06 77.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -61.81 -36.18 80.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 111.198 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -78.07 -37.6 46.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.472 -174.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 t -94.87 -6.03 43.63 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.259 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.1 35.61 26.8 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.44 153.52 18.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 pt -116.82 149.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.907 -170.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 HG23 ' A' ' 1' ' ' THR . 68.3 mt -135.87 131.79 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 pt -118.88 158.16 48.46 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.55 -34.85 73.89 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.81 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.54 142.65 31.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.349 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.99 47.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 0.0 111.085 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.3 m -149.77 132.78 16.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.481 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.44 119.79 51.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.24 145.97 97.41 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.965 2.443 . . . . 0.0 112.273 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.56 65.38 3.68 Favored Glycine 0 CA--C 1.51 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.517 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -157.12 -37.23 0.07 Allowed 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.11 19.93 16.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.009 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 88.83 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.809 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.675 HD21 HG13 ' A' ' 7' ' ' ILE . 16.1 t-20 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.572 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -91.56 126.91 36.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.129 0.49 . . . . 0.0 110.963 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -125.96 111.72 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.206 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.3 m -99.69 159.0 31.12 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.23 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.68 -144.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.415 2.743 . . . . 0.0 112.382 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -48.76 154.94 0.63 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.163 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mt -52.1 -34.83 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.727 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.16 -36.24 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -68.95 -31.27 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 -178.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 10' ' ' ARG . 2.8 tpp85 -58.05 -47.44 83.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -64.46 -43.44 94.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.152 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.46 -39.77 94.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.38 -41.49 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.614 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -30.07 70.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.826 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.17 -39.45 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.656 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 43.9 t -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 17.1 ttp180 -84.69 -3.41 58.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.603 0.24 . . . . 0.0 111.337 -174.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 61.3 tp -65.69 -51.16 51.38 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 3.4 Cg_exo -76.06 22.73 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.46 2.107 . . . . 0.0 112.884 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.76 30.33 59.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.287 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -84.82 136.17 39.28 Favored Pre-proline 0 C--N 1.318 -0.786 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.89 136.04 35.99 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.999 2.466 . . . . 0.0 112.938 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -71.52 -35.05 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.827 -174.64 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.18 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -66.94 -44.69 79.98 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.0 m -67.2 -29.83 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.98 40.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 0.0 110.476 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 m -64.97 -36.82 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -63.53 -36.13 82.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.527 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.447 HG22 ' HB1' ' A' ' 9' ' ' ALA . 1.8 m -98.46 -11.2 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.257 0.551 . . . . 0.0 110.715 -175.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.68 26.49 58.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.088 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -95.22 138.82 32.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 pt -115.01 162.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.027 0.442 . . . . 0.0 111.455 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.27 124.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.428 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.492 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.0 pt -110.65 129.56 23.83 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 7.4 Cg_exo -74.62 -10.58 21.94 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.854 2.369 . . . . 0.0 112.22 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.91 178.72 40.5 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.96 143.29 0.07 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.642 0.777 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -71.55 152.39 43.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.806 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -92.12 123.3 63.09 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.714 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.06 142.44 98.4 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.835 2.357 . . . . 0.0 111.515 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . -56.7 -23.14 42.92 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.491 -176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.62 -33.1 74.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -117.6 9.97 13.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . . . -102.25 87.4 3.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.876 -177.212 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.55 0.214 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -92.74 124.2 36.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.837 0.351 . . . . 0.0 110.494 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 63.9 m -117.67 107.59 14.4 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.95 179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 92.6 m -94.37 164.42 20.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 111.256 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 9' ' ' ALA . 29.0 Cg_endo -67.63 -154.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.867 2.378 . . . . 0.0 111.848 171.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -45.06 154.68 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.341 0.591 . . . . 0.0 112.53 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -49.44 -38.1 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.823 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.68 -46.98 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.214 0.53 . . . . 0.0 110.288 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -65.7 -35.05 79.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 176.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 46' ' ' ASN . 41.4 ttt180 -57.49 -46.47 83.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.165 0.507 . . . . 0.0 110.219 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 15' ' ' VAL . 24.5 m -62.68 -41.04 98.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.873 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -60.93 -43.09 99.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.315 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.61 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.088 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -63.69 -44.72 92.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.508 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 11' ' ' SER . 98.0 t -67.88 -38.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.8 t -58.39 -43.79 88.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 21' ' ' THR . 35.7 ttt180 -83.32 -10.86 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.491 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.8 tt -59.84 -51.02 83.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.806 -176.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 73.1 Cg_endo -75.16 18.65 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 122.288 1.992 . . . . 0.0 113.785 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.05 40.77 6.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.817 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 4.1 m -101.01 135.41 19.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.02 131.38 25.59 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 0.0 112.845 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -44.25 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.025 -177.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.67 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.46 -48.36 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.007 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -67.66 -37.23 82.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.016 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.85 78.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.72 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.24 -36.32 83.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.02 0.438 . . . . 0.0 110.741 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.472 HG22 ' HB1' ' A' ' 9' ' ' ALA . 1.9 m -95.77 -23.59 16.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.578 -172.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.15 37.04 4.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.844 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.91 140.67 29.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.672 -0.311 . . . . 0.0 110.243 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -106.91 139.4 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 0.0 110.591 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.7 mp -103.91 134.75 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.671 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 pt -124.83 142.61 41.4 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.37 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.23 -28.04 48.14 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.42 2.08 . . . . 0.0 111.51 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.52 -140.24 6.42 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 69.31 22.48 6.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.464 0.705 . . . . 0.0 111.539 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 m 64.06 130.75 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.733 0.778 . . . . 0.0 112.999 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.9 t -90.08 125.98 58.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.731 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.9 Cg_exo -58.8 149.2 79.3 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.697 2.265 . . . . 0.0 111.987 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.8 58.08 Favored Glycine 0 CA--C 1.516 0.128 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.62 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.62 -23.89 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.223 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.554 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 86.3 m-85 -124.08 17.29 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.976 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.99 84.3 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.627 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' HB3' ' HB2' ' A' ' 10' ' ' ARG . 49.4 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.02 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.547 ' HB ' HG13 ' A' ' 35' ' ' ILE . 3.7 m . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m -130.74 130.28 43.58 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.59 116.53 13.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 67.7 m -100.4 161.61 23.49 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.212 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 44' ' ' TYR . 24.5 Cg_exo -66.26 -150.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.832 2.355 . . . . 0.0 110.782 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -38.94 136.97 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.71 0.404 . . . . 0.0 111.127 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -44.53 -37.01 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.496 -171.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -49.72 -46.17 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.889 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.8 78.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.28 0.562 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 57.7 ttt180 -67.87 -41.1 83.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.882 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 m -61.92 -43.85 97.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -64.46 -45.57 86.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.949 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.32 -45.37 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -63.02 -46.15 88.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.2 -176.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.53 -36.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.876 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' HB ' ' A' ' 21' ' ' THR . 54.0 t -65.19 -40.4 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -83.81 10.32 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.034 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.5 tm? -80.59 -55.01 0.75 Allowed Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.449 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 5.0 Cg_exo -77.8 31.48 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.548 2.165 . . . . 0.0 113.439 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.29 28.91 61.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 32.3 m -91.22 131.71 36.0 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -44.82 126.88 7.78 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.22 2.613 . . . . 0.0 113.411 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.7 mp0 -54.17 -47.33 72.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.86 -177.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.42 84.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.811 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.23 -38.99 92.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.082 0.468 . . . . 0.0 110.454 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.6 m -77.26 -29.7 54.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.481 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.75 -45.34 71.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.752 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -66.62 -26.02 66.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.438 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -78.47 -33.56 48.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.456 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -95.11 -35.7 11.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.016 -176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.81 25.82 7.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.517 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.4 t -96.68 148.4 22.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.0 pt -110.41 146.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.223 0.535 . . . . 0.0 111.824 -175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.4 mt -119.76 122.08 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.585 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.547 HG13 ' HB ' ' A' ' 1' ' ' THR . 21.1 pt -134.04 153.57 79.77 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.658 -175.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -91.82 77.4 0.48 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.493 2.795 . . . . 0.0 111.569 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.82 4.48 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.293 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.17 -32.69 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 t -130.34 -173.78 3.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 120.737 0.303 . . . . 0.0 110.681 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.4 m -117.02 157.5 46.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HG2' ' HE1' ' A' ' 44' ' ' TYR . 21.1 Cg_exo -66.19 176.74 3.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.892 2.395 . . . . 0.0 112.223 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.29 -28.98 23.57 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.448 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.62 -52.05 59.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.231 0.538 . . . . 0.0 110.192 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.576 ' HE1' ' HG2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -129.88 99.54 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.771 177.429 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.81 86.32 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.758 173.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.124 -179.27 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.549 ' HB ' HG13 ' A' ' 35' ' ' ILE . 5.3 m . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -123.48 138.94 54.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.096 0.474 . . . . 0.0 109.997 174.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.6 m -134.9 145.71 48.5 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.222 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 m -127.92 150.34 73.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -73.24 150.85 48.09 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.318 2.012 . . . . 0.0 112.181 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t 50.96 175.95 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.658 -1.156 . . . . 0.0 112.604 -173.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.84 HD13 ' HB3' ' A' ' 46' ' ' ASN . 27.1 mm -82.72 -32.0 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.309 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.31 -32.57 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.502 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -66.55 -34.32 77.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.178 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.807 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 p -69.17 -38.67 78.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.592 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -62.93 -37.61 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.006 0.431 . . . . 0.0 110.556 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.51 -41.66 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.402 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -63.96 -39.32 93.87 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.747 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -61.47 -38.92 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.931 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 11.9 t -53.8 -46.57 71.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.0 111.88 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -92.68 11.47 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.962 0.41 . . . . 0.0 111.514 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.0 tt -75.26 -55.04 2.3 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.543 177.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 73.1 Cg_endo -77.43 -41.17 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.642 1.561 . . . . 0.0 111.952 176.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.83 46.22 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.984 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.476 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 44.1 m -93.16 138.13 23.32 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 82.7 Cg_exo -46.56 121.05 4.37 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.809 2.339 . . . . 0.0 113.414 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -51.59 -50.64 59.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.257 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.48 97.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.533 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.655 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.7 tt -55.31 -45.9 76.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 110.49 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.0 m -74.09 -34.17 63.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.242 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.35 65.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 m -63.04 -40.81 98.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.39 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -81.85 -38.71 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 0.0 110.75 -174.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.549 HG22 ' HB1' ' A' ' 9' ' ' ALA . 4.2 m -81.4 -5.78 58.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.499 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.79 36.46 52.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.394 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.09 143.87 25.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -98.1 155.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.71 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -126.63 109.36 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.549 HG13 ' HB ' ' A' ' 1' ' ' THR . 18.4 pt -117.46 134.13 23.17 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.321 176.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.77 -27.96 81.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.975 2.45 . . . . 0.0 112.708 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.42 176.48 32.21 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.44 152.76 0.13 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.8 t -100.14 156.46 17.18 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.142 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.769 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 60.6 m -85.29 143.69 39.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.618 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.06 152.88 72.88 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.689 2.26 . . . . 0.0 111.579 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.27 -22.23 62.92 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 113.685 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.57 -38.88 92.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.428 . . . . 0.0 111.02 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.14 -39.07 8.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.504 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.769 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . . . -79.1 110.06 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 110.504 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.84 ' HB3' HD13 ' A' ' 7' ' ' ILE . 6.2 m-20 . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.804 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.629 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 79.3 m . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.45 HG22 ' SG ' ' A' ' 32' ' ' CYS . 29.8 m -114.07 124.72 52.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.585 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.3 m -131.5 128.56 39.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -114.14 152.96 46.33 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 Cg_exo -81.29 164.89 19.15 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.731 2.287 . . . . 0.0 111.516 172.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t 54.98 121.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.181 0.926 . . . . 0.0 113.034 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.69 -30.86 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.386 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.07 -42.93 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -65.85 -42.79 90.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 13' ' ' PHE . 9.5 tmm_? -70.25 -26.06 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.863 0.363 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -60.76 -55.32 34.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.27 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -68.94 -27.16 65.5 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.595 0.236 . . . . 0.0 110.501 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.593 ' HB2' HG21 ' A' ' 30' ' ' THR . 67.3 t80 -58.21 -47.49 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 110.749 173.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -66.91 -44.75 79.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.81 -28.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.542 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -64.65 -37.53 87.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.384 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -83.29 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.686 0.279 . . . . 0.0 111.587 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -63.64 -51.4 66.39 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.4 Cg_exo -71.42 2.73 4.18 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.586 2.191 . . . . 0.0 113.036 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.49 25.14 12.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.713 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -84.33 130.26 54.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 7.0 Cg_endo -50.53 138.09 39.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.311 2.674 . . . . 0.0 112.994 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.67 -44.92 93.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.219 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.333 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 1.3 tt -58.36 -54.91 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.6 m -60.74 -33.21 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.423 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.79 89.8 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.871 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.5 m -67.06 -31.26 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.342 0.591 . . . . 0.0 110.653 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -75.32 -25.04 57.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.47 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.593 HG21 ' HB2' ' A' ' 13' ' ' PHE . 7.5 p -105.34 -4.06 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.19 37.68 59.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.604 -1.284 . . . . 0.0 110.61 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.9 t -99.95 153.67 19.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.606 -0.797 . . . . 0.0 110.306 -173.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.2 pt -113.76 143.53 23.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 111.583 -176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.32 103.37 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.705 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 pt -104.58 150.9 39.05 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.41 -28.5 46.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.302 2.668 . . . . 0.0 112.432 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.79 156.67 49.09 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.864 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.629 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -98.82 12.84 34.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.05 0.452 . . . . 0.0 111.326 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.3 m -152.83 128.11 9.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.317 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 m -101.7 147.55 34.01 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.237 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.04 150.17 85.51 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.565 2.177 . . . . 0.0 111.307 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.46 -11.12 55.83 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.842 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.62 -29.51 70.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.697 0.399 . . . . 0.0 111.388 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 6.8 t80 -141.31 30.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.667 -173.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.99 112.88 13.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 0.0 111.715 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.492 HD22 ' HA ' ' A' ' 46' ' ' ASN . 2.4 m120 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.602 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 m -92.49 124.58 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.797 0.332 . . . . 0.0 110.291 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -129.68 141.86 50.83 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -109.65 156.08 40.3 Favored Pre-proline 0 C--N 1.319 -0.73 0 O-C-N 122.139 -0.35 . . . . 0.0 110.377 -177.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 4.8 Cg_exo -82.19 153.56 16.46 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.536 2.157 . . . . 0.0 111.721 170.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t 56.78 152.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.911 -1.04 . . . . 0.0 113.562 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm -70.68 -32.22 48.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.117 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.28 -39.82 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.964 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.04 84.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.234 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.59 -50.17 74.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.883 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.0 m -60.6 -38.0 83.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.337 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -72.93 -33.64 66.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.111 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -63.78 -41.11 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.031 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.97 -39.56 90.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' SER . 68.6 t -61.38 -37.06 76.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -72.9 -36.8 67.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.9 tpt180 -75.55 -27.28 58.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.428 -176.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.1 tp -52.74 -53.09 58.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 55.3 Cg_endo -70.86 -4.99 15.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.656 1.57 . . . . 0.0 113.322 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.19 49.64 1.7 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.564 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -101.73 133.68 20.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 143.47 60.87 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.932 2.422 . . . . 0.0 112.042 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.8 pm0 -63.86 -33.79 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.96 88.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.07 0.462 . . . . 0.0 110.458 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.48 -47.65 75.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.17 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.39 -47.09 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.63 -37.47 65.69 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -67.6 -27.98 67.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.226 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -86.56 -37.42 18.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.648 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.66 -24.43 29.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.019 0.438 . . . . 0.0 111.598 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.63 31.12 8.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.248 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.3 m -83.97 150.2 25.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 pt -98.78 136.94 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 0.0 110.13 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -110.78 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.144 0.497 . . . . 0.0 110.086 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.1 pt -114.09 150.89 44.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.545 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.46 -19.92 36.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.032 2.488 . . . . 0.0 111.904 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.49 152.25 52.56 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.75 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.874 0.369 . . . . 0.0 110.611 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.1 m -102.4 115.7 31.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.02 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 97.5 m -90.61 132.42 35.15 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 38.9 Cg_exo -58.97 138.14 83.88 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.511 2.141 . . . . 0.0 111.296 177.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.67 -26.28 38.81 Favored Glycine 0 C--N 1.329 0.19 0 O-C-N 123.609 0.568 . . . . 0.0 112.876 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.86 -28.93 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.732 0.413 . . . . 0.0 111.378 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -136.8 18.81 3.05 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.015 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.64 94.02 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.931 0.396 . . . . 0.0 111.967 -175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 14.4 m-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.215 -0.898 . . . . 0.0 108.908 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -121.97 148.57 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.996 0.427 . . . . 0.0 110.79 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -115.38 129.58 56.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.606 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.9 m -111.14 118.54 47.63 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.747 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.83 -70.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.382 2.721 . . . . 0.0 112.175 173.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -72.94 140.28 47.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.093 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 46' ' ' ASN . 50.9 mt -70.97 -24.75 24.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.525 0.679 . . . . 0.0 109.742 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.18 -32.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.9 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.23 72.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.053 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -55.86 -51.73 66.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.24 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -64.14 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.748 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -62.01 -39.45 92.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.564 0.221 . . . . 0.0 111.315 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 56.3 t80 -61.62 -45.59 93.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.66 -34.96 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.671 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.75 -37.41 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.113 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -65.91 -43.62 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.602 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 21' ' ' THR . 14.3 ttp180 -85.67 -8.32 58.28 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.664 -176.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.8 tm? -54.46 -50.86 82.83 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.634 -178.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.3 Cg_exo -71.51 7.31 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.268 1.978 . . . . 0.0 113.144 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.75 34.16 8.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.662 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 39.6 m -89.19 133.57 34.83 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -48.27 132.37 23.69 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.328 2.686 . . . . 0.0 112.588 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 9.8 pt-20 -59.42 -35.06 73.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.221 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' HD11 ' A' ' 34' ' ' ILE . . . -60.15 -46.73 88.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.025 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.07 -42.78 95.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.413 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -75.9 -40.69 53.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.444 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.21 -56.07 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.392 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.1 m -61.56 -29.76 70.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.686 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.12 -37.1 34.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -87.63 -39.22 15.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 -173.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 31.72 0.7 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.224 -0.989 . . . . 0.0 113.058 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -113.32 142.96 45.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.7 pt -98.44 147.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.482 0.182 . . . . 0.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 24' ' ' ALA . 54.2 mt -114.48 135.08 55.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.079 0.466 . . . . 0.0 110.721 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 pt -127.93 153.78 78.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.028 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.31 40.78 0.63 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.809 2.339 . . . . 0.0 112.507 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.29 153.64 22.01 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.764 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.44 1.53 54.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.861 0.363 . . . . 0.0 111.24 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -132.07 146.4 52.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.4 m -110.24 149.66 40.44 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.114 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 13.3 Cg_endo -58.43 141.18 96.93 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.811 2.341 . . . . 0.0 111.704 174.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.47 -40.2 76.67 Favored Glycine 0 CA--C 1.518 0.241 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.199 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.57 -31.92 72.81 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.531 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 69.5 m-85 -104.22 22.57 14.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 -176.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.24 85.42 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.302 0.573 . . . . 0.0 109.767 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' HG12 ' A' ' 7' ' ' ILE . 23.9 m-80 . . . . . 0 C--O 1.242 0.69 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.051 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.47 ' O ' HG12 ' A' ' 35' ' ' ILE . 28.1 m . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.582 HG23 HG12 ' A' ' 34' ' ' ILE . 7.2 m -74.96 120.8 20.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.783 0.325 . . . . 0.0 110.294 176.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.02 122.3 37.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.9 m -104.2 156.44 35.75 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 120.717 0.294 . . . . 0.0 110.762 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 47.2 Cg_endo -73.07 -154.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.826 2.351 . . . . 0.0 111.737 172.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -31.49 135.24 0.07 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.022 0.826 . . . . 0.0 112.415 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -45.62 -38.07 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -51.98 -32.11 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.082 0.467 . . . . 0.0 111.443 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.67 75.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 10' ' ' ARG . 19.3 ttm-85 -60.52 -39.15 86.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.913 0.387 . . . . 0.0 110.196 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.3 m -57.72 -57.7 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.302 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.5 -37.34 86.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.56 -41.38 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.231 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -71.28 -38.39 71.84 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 122.205 -0.309 . . . . 0.0 111.224 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 11' ' ' SER . 58.8 t -64.02 -34.74 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.066 0.46 . . . . 0.0 110.246 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 47.4 t -65.44 -34.41 78.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.578 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 68.2 mtm180 -84.39 -6.89 59.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -60.19 -50.75 84.61 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.509 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.8 Cg_exo -71.54 -6.17 18.58 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.112 1.875 . . . . 0.0 112.305 178.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.77 15.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.641 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -71.54 134.15 84.48 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.21 142.9 66.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.991 2.46 . . . . 0.0 112.858 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 40.8 mt-10 -62.43 -38.51 90.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.61 81.01 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 111.068 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.88 -55.02 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.249 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.5 m -58.8 -41.65 87.24 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.937 0.399 . . . . 0.0 111.072 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 m -81.3 -32.69 33.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.35 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 -42.89 16.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.51 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -88.27 -51.99 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.217 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.83 85.69 0.28 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 t -164.92 158.05 16.75 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.63 147.68 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.314 0.578 . . . . 0.0 111.131 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.582 HG12 HG23 ' A' ' 2' ' ' THR . 73.5 mt -121.89 107.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 1' ' ' THR . 23.0 pt -86.66 146.33 41.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.247 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 31.2 Cg_exo -59.33 -39.62 75.61 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.242 2.628 . . . . 0.0 113.005 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.3 176.88 25.93 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.26 141.08 0.06 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.61 0.719 . . . . 0.0 111.14 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 169.31 18.49 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.403 178.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.1 m -81.25 117.67 69.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.99 155.16 57.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.488 2.125 . . . . 0.0 111.625 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.09 -23.85 53.22 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.775 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.0 -38.91 90.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.115 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -128.61 35.38 4.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.615 0.721 . . . . 0.0 109.993 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -91.91 84.95 5.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.245 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.027 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 9.4 t -96.75 136.58 37.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -127.33 108.86 11.22 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.9 m -94.23 167.88 12.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.144 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 24.1 Cg_exo -66.12 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.399 2.066 . . . . 0.0 112.261 172.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -59.32 170.75 0.9 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.93 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.55 -49.22 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.983 -172.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.3 t -63.79 -47.54 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 110.997 -175.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' PRO . . . -62.39 -38.72 90.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.833 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 79.0 ttt180 -62.65 -38.06 88.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 m -65.14 -41.15 95.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.576 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -58.78 -39.85 82.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.451 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.6 t80 -61.54 -42.01 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.659 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -72.03 -43.14 65.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.98 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.83 -35.87 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.065 0.459 . . . . 0.0 110.973 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -65.24 -23.67 67.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.669 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 78.8 mtm180 -92.65 10.61 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.096 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.567 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -76.49 -52.44 2.25 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 87.0 Cg_endo -81.14 -168.33 0.61 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.198 1.932 . . . . 0.0 112.784 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.48 55.73 4.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.124 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -112.63 130.11 23.75 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -50.88 124.16 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.063 2.509 . . . . 0.0 112.936 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HG3' ' HD3' ' A' ' 17' ' ' ARG . 35.6 tt0 -57.47 -40.38 78.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.93 79.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.83 -47.06 82.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.706 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.2 m -60.52 -37.99 82.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.311 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -62.14 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -62.04 -30.52 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -73.2 -26.09 61.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.065 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.3 p -100.28 -9.32 22.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.369 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.99 19.42 63.06 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.374 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -96.02 136.79 36.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -108.45 140.29 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 55.4 mt -114.15 100.13 10.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.687 176.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 pt -99.19 150.99 37.23 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.295 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.43 -10.81 28.82 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.828 2.352 . . . . 0.0 111.632 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.45 173.95 39.36 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.937 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.8 -35.68 7.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.559 0.219 . . . . 0.0 111.277 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -99.39 132.76 44.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.213 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.3 m -83.14 150.58 61.44 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.677 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HB2' ' HD1' ' A' ' 44' ' ' TYR . 52.3 Cg_exo -56.24 147.44 66.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 111.932 174.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.44 88.02 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.749 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.22 -37.25 69.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 0.0 110.285 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.473 ' HD1' ' HB2' ' A' ' 41' ' ' PRO . 93.2 m-85 -89.88 37.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.805 -176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.78 87.44 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 111.355 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.708 ' OXT' ' HD2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.338 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -126.67 148.84 49.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.577 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 33' ' ' ILE . 97.0 m -132.68 120.35 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.443 ' SG ' ' HD2' ' A' ' 10' ' ' ARG . 95.8 m -98.33 142.74 25.08 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.929 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 41.7 Cg_exo -44.06 -71.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.899 3.066 . . . . 0.0 114.655 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t -114.12 169.74 8.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.766 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.672 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.0 mt -51.54 -44.65 34.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.169 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.4 -39.11 84.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.314 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.46 92.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 11.7 tpt180 -68.77 -36.88 78.88 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 t -61.68 -47.98 82.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.076 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -56.43 -40.76 75.28 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.343 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.25 -39.78 88.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.382 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -43.75 59.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.645 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.81 -33.07 56.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.38 -23.73 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.479 . . . . 0.0 111.033 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 9.2 mmm180 -87.83 0.63 55.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.764 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -74.38 -54.08 3.32 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 -179.007 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 8.1 Cg_exo -73.6 -4.26 15.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.389 2.059 . . . . 0.0 112.557 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.58 47.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.237 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 6.0 m -67.18 129.61 93.83 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.81 134.9 67.44 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.336 2.69 . . . . 0.0 112.919 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.3 pm0 -64.73 -33.4 75.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.818 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.51 69.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.203 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 35.5 tp -85.68 -44.81 12.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.58 -39.19 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.09 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.17 -60.32 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -69.57 -34.93 74.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.335 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 1.8 t80 -63.13 -36.94 85.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.068 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.1 -32.71 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.361 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.75 3.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.515 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -97.93 149.37 22.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 3' ' ' CYS . 37.8 pt -103.51 144.35 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.987 -171.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.2 mt -99.39 120.26 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.159 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.7 pt -113.29 150.71 43.49 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.28 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.99 -53.09 6.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.799 2.333 . . . . 0.0 111.943 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.66 141.99 3.35 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.116 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 76.56 -43.62 0.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 m -78.44 95.2 5.06 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.217 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -137.17 127.46 15.87 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.48 138.45 65.95 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.967 2.445 . . . . 0.0 112.788 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.45 51.94 3.73 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.603 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -170.31 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 13.5 m-85 -94.75 14.66 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.2 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.61 87.76 7.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.468 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.672 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 3.8 t30 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.638 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 120.816 0.341 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.424 HG23 HG12 ' A' ' 34' ' ' ILE . 7.1 m -102.82 126.49 49.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.189 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.98 116.57 16.58 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.0 m -94.94 161.9 26.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.734 0.302 . . . . 0.0 111.378 -174.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 44.8 Cg_exo -45.12 -66.65 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.706 2.937 . . . . 0.0 113.55 175.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -127.97 164.74 21.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.353 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.08 -23.89 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.568 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.77 -38.6 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.46 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.05 90.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -58.4 -44.87 89.16 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 109.981 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 t -63.11 -49.49 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.618 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -64.84 -30.95 71.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.924 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -58.37 -48.55 80.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -64.12 -40.29 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.444 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 61.9 t -67.87 -40.15 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.272 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -64.95 -41.6 95.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.01 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 37.1 ttt180 -80.07 -15.49 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.371 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.9 tt -57.37 -51.47 81.47 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.985 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 9.9 Cg_exo -72.92 8.21 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.636 2.224 . . . . 0.0 113.132 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.15 24.97 9.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.531 -0.843 . . . . 0.0 113.487 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -88.31 130.2 46.73 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 117.123 0.461 . . . . 0.0 110.061 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 11.0 Cg_endo -54.78 138.15 76.07 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.268 2.645 . . . . 0.0 112.769 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 3.2 mp0 -46.04 -55.9 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.624 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.19 72.75 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.948 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -63.33 -44.62 94.37 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.8 m -69.46 -34.63 74.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.72 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.674 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.6 m -61.25 -43.81 98.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.331 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -73.01 -31.41 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -175.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -83.77 -4.92 59.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.35 29.92 69.71 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.245 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 19.1 t -87.06 153.03 21.85 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -118.1 146.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.464 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG12 HG23 ' A' ' 2' ' ' THR . 66.5 mt -121.73 102.99 12.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.689 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.7 pt -100.61 149.96 36.57 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.9 -26.91 43.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.097 2.531 . . . . 0.0 112.189 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.6 -172.97 39.72 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.674 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.28 8.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.192 0.52 . . . . 0.0 110.409 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -80.99 71.57 7.96 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.192 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.729 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -108.24 115.95 57.45 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.646 171.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.77 156.82 55.47 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.0 56.19 2.69 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.548 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -162.83 -40.7 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -94.23 -22.21 18.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.932 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.729 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -77.79 96.91 5.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.719 176.54 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.479 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 87.6 m . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.77 0.319 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.402 HG22 ' SG ' ' A' ' 32' ' ' CYS . 7.6 m -88.11 128.55 35.43 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' O ' HG12 ' A' ' 33' ' ' ILE . 2.7 m -129.83 113.69 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 109.944 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 72.4 m -95.62 152.84 39.43 Favored Pre-proline 0 C--N 1.316 -0.885 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.585 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.55 -74.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 124.006 3.138 . . . . 0.0 114.471 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -135.56 -172.06 2.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.89 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.749 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 63.7 mt -55.67 -43.48 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.313 -172.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.01 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.445 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.07 99.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.644 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 23.4 ttm180 -62.97 -41.78 99.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 15' ' ' VAL . 57.2 m -59.99 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.688 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -71.09 -31.77 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.578 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.51 -45.09 95.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.136 0.493 . . . . 0.0 109.898 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -63.21 -38.72 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 11' ' ' SER . 86.5 t -63.83 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 t -65.46 -46.33 80.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.529 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 21' ' ' THR . 39.8 ttt-85 -82.91 -7.93 59.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.462 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -49.9 -52.26 53.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 44.1 Cg_endo -70.9 2.52 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.356 2.037 . . . . 0.0 113.559 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.27 6.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.861 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.626 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 6.3 m -80.28 138.24 52.28 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.82 145.68 71.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.06 -45.85 86.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.996 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.56 85.14 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.112 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.76 -55.02 38.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.804 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.4 m -66.4 -28.37 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.534 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.28 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.056 0.455 . . . . 0.0 109.982 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -78.12 -29.03 48.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.528 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.83 -42.55 81.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -102.59 -20.3 14.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 111.456 -171.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.21 34.72 6.01 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.1 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' A' ' 2' ' ' THR . 32.3 t -99.84 146.65 26.37 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 3' ' ' CYS . 38.6 pt -110.95 149.06 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.237 0.541 . . . . 0.0 111.737 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.0 mm -106.71 138.96 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.368 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.3 pt -127.07 143.04 45.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.494 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.51 -22.91 58.22 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.871 2.381 . . . . 0.0 111.807 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.57 -175.79 41.38 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.677 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -113.62 -23.69 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.393 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -106.96 117.16 33.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.024 0.44 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.96 136.55 50.58 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.442 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.52 118.47 5.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.565 2.177 . . . . 0.0 111.195 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . -59.21 -20.09 48.81 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 113.428 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.39 -24.46 66.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.596 0.359 . . . . 0.0 110.57 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -145.12 36.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . . . -117.74 100.14 7.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.749 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 1.9 t30 . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.758 0.313 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.494 HG22 ' SG ' ' A' ' 32' ' ' CYS . 10.3 m -101.51 131.16 47.82 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -132.67 123.62 26.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.13 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.0 m -103.7 163.65 16.97 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.54 -73.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.302 2.668 . . . . 0.0 113.584 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -92.78 161.25 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.263 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.511 ' CG1' HD21 ' A' ' 46' ' ' ASN . 59.2 mt -67.91 -40.67 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.095 0.474 . . . . 0.0 109.888 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.51 -34.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.608 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.81 84.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.626 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.97 -46.92 79.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.738 0.304 . . . . 0.0 110.606 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.2 m -59.24 -48.56 81.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.11 -29.78 69.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.089 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 23' ' ' GLU . 66.6 t80 -67.89 -38.34 82.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.074 0.464 . . . . 0.0 109.875 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.43 -30.35 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' SER . 80.4 t -60.05 -42.19 88.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.767 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 5.4 t -60.57 -47.34 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.179 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.932 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 29.9 mtp180 -82.85 10.4 7.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.7 tt -80.88 -57.64 0.57 Allowed Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 59.3 Cg_endo -72.72 -20.52 22.81 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.747 1.631 . . . . 0.0 112.045 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.32 63.12 0.49 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.426 -0.893 . . . . 0.0 112.438 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.767 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.5 m -117.37 134.91 23.06 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -50.31 134.62 38.27 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.306 2.671 . . . . 0.0 113.569 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.932 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 33.4 mt-10 -57.31 -50.32 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.353 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.26 78.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.395 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.2 -49.33 78.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.125 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -80.25 -41.98 24.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.014 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -34.68 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.759 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -66.23 -26.14 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -89.59 -37.34 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.666 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -19.41 57.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.367 . . . . 0.0 111.353 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.28 13.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.465 -0.874 . . . . 0.0 110.957 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 2' ' ' THR . 38.5 t -106.43 142.85 35.43 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 pt -103.71 141.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.324 0.583 . . . . 0.0 111.844 -172.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.95 115.76 48.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.885 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 pt -119.86 142.66 33.59 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.83 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 3.3 Cg_exo -77.2 74.32 5.11 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.717 2.278 . . . . 0.0 111.321 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.02 -148.26 6.42 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.839 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.99 19.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 110.91 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 m -124.87 93.61 3.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.102 0.477 . . . . 0.0 110.85 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.1 131.3 24.47 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.23 134.84 61.78 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.247 1.964 . . . . 0.0 111.048 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.99 -30.03 29.18 Favored Glycine 0 CA--C 1.521 0.43 0 O-C-N 123.387 0.429 . . . . 0.0 113.466 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.62 -21.98 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.91 26.34 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.204 0.526 . . . . 0.0 110.657 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.05 96.95 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.066 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.511 HD21 ' CG1' ' A' ' 7' ' ' ILE . 16.8 t-20 . . . . . 0 C--O 1.243 0.742 0 CA-C-O 118.255 -0.879 . . . . 0.0 109.534 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.607 ' HB ' HG23 ' A' ' 35' ' ' ILE . 27.8 m . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 m -108.88 128.87 55.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.806 0.336 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 82.9 m -130.97 142.03 50.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.086 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t -147.47 137.76 12.53 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 6.4 Cg_exo -73.3 156.05 50.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 111.191 175.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t 57.32 129.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.995 0.903 . . . . 0.0 112.721 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.679 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.1 mt -63.13 -28.09 44.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.506 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -67.95 -31.9 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.628 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.85 68.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.76 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' HE ' ' C ' ' A' ' 46' ' ' ASN . 14.1 ttm180 -60.66 -41.19 94.5 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.714 0.292 . . . . 0.0 110.467 176.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.2 t -58.12 -48.92 78.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.64 -33.54 76.14 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -60.26 -45.26 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.71 -41.8 68.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' SER . 93.4 t -63.81 -30.35 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 110.695 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.9 t -60.45 -33.28 72.33 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 59.9 mtp180 -88.9 -5.88 57.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.2 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.2 tp -65.95 -50.11 54.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.79 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.2 Cg_exo -71.62 -31.89 12.76 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.668 1.579 . . . . 0.0 111.791 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 73.32 0.16 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.324 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.9 m -135.17 136.13 24.09 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 68.8 Cg_exo -51.75 140.44 46.93 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.347 2.698 . . . . 0.0 112.98 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.626 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -63.75 -42.12 97.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.332 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.09 99.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 0.0 110.402 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.5 -49.11 79.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.185 178.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -60.82 -44.63 96.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.26 82.54 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -69.43 -27.42 65.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 110.6 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -77.2 -35.85 55.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 p -88.97 -34.74 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.774 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.75 29.63 3.52 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.052 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.94 142.91 28.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.9 150.11 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.092 0.472 . . . . 0.0 111.189 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.97 112.19 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.428 0.632 . . . . 0.0 110.101 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.607 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.4 tt -109.43 128.84 24.7 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.602 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.67 -9.73 19.92 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.457 2.104 . . . . 0.0 112.041 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.512 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -92.38 144.32 17.03 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.247 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 53.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.104 0.478 . . . . 0.0 111.598 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.2 m -154.68 125.44 7.06 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 48.7 t -119.74 136.99 25.14 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.699 0.285 . . . . 0.0 110.486 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 29.5 Cg_exo -61.13 150.71 83.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.081 2.52 . . . . 0.0 111.971 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.52 -29.64 69.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.653 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -83.93 -10.89 57.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.99 0.424 . . . . 0.0 110.724 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.48 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 50.1 m-85 -113.76 14.26 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.647 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 46' ' ' ASN . . . -80.1 85.18 5.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.656 -175.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.5 t30 . . . . . 0 C--O 1.247 0.95 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.091 0.472 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.576 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.2 m -97.34 130.39 44.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.103 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m -126.31 114.62 18.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.53 ' HB2' ' OXT' ' A' ' 46' ' ' ASN . 59.5 m -105.16 160.28 26.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.03 -176.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 6' ' ' SER . 64.1 Cg_exo -57.51 -113.55 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 123.647 2.898 . . . . 0.0 113.394 175.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 18.8 t -75.34 169.45 18.04 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 121.362 -0.836 . . . . 0.0 110.609 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.925 ' HA ' HD21 ' A' ' 46' ' ' ASN . 43.9 mt -58.68 -37.28 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.621 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -52.59 -40.44 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.474 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.74 -14.7 63.17 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.685 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -97.96 -40.83 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.953 0.406 . . . . 0.0 110.468 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -57.75 -39.62 77.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.51 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -83.56 -27.73 29.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.87 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -62.99 -41.36 99.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -67.18 -16.85 64.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.225 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.15 -46.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.91 -30.7 70.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.618 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.527 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 14.7 tpt180 -94.53 8.31 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 110.726 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -63.67 -52.05 61.47 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 93.2 Cg_endo -89.74 -166.72 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.744 1.629 . . . . 0.0 112.553 176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.11 58.11 3.98 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.42 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -106.18 134.87 19.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.629 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 94.3 Cg_exo -46.31 133.98 15.68 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.247 2.631 . . . . 0.0 112.812 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 6.5 mt-10 -74.38 -41.22 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 -173.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.27 83.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.872 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.3 tt -53.37 -55.88 21.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.204 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 m -66.37 -39.88 89.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.05 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.75 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.526 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.3 m -67.16 -29.58 69.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -71.51 -35.32 70.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.7 p -90.97 -28.88 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.92 24.65 8.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.605 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.576 ' SG ' HG22 ' A' ' 2' ' ' THR . 46.1 t -93.47 154.61 17.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -115.53 139.57 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.178 0.513 . . . . 0.0 111.543 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 HG23 ' A' ' 2' ' ' THR . 72.9 mt -111.37 112.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.896 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 pt -106.46 137.81 19.55 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.039 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.74 -18.17 62.88 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.992 2.462 . . . . 0.0 113.131 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.16 166.97 12.75 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.463 -0.399 . . . . 0.0 113.212 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.13 -23.04 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.911 0.386 . . . . 0.0 110.725 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -109.96 166.9 10.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.906 0.384 . . . . 0.0 110.55 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.4 t -152.38 128.05 5.02 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.54 135.46 66.52 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.046 2.497 . . . . 0.0 112.542 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.79 -28.13 65.23 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 113.566 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.93 -22.18 66.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.832 0.348 . . . . 0.0 111.402 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -132.39 23.65 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.701 . . . . 0.0 109.33 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.5 89.0 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.18 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.925 HD21 ' HA ' ' A' ' 7' ' ' ILE . 2.4 t30 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.116 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.714 0.293 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.627 ' HB ' HG12 ' A' ' 34' ' ' ILE . 5.4 t -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 38.8 m -125.26 131.83 53.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.846 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 89.2 m -115.76 154.32 48.08 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.494 -174.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.99 -71.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.261 2.641 . . . . 0.0 113.306 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -114.98 168.76 9.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.499 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.56 -28.52 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.425 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.28 -39.11 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -68.12 -35.61 78.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 35.7 ttm-85 -67.67 -36.74 81.27 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.217 0.532 . . . . 0.0 110.143 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 m -68.88 -41.77 77.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.923 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.44 -27.52 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.353 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 57.4 t80 -55.59 -51.58 66.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 110.654 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.73 -43.77 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.044 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.4 t -63.29 -36.06 82.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.493 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 61.9 mtp180 -91.65 2.87 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 119.641 -0.218 . . . . 0.0 111.343 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.45 -36.65 33.65 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.207 1.938 . . . . 0.0 112.42 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.94 67.35 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.363 -0.923 . . . . 0.0 112.465 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 24.1 m -132.75 132.75 22.75 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.509 ' HD2' HD12 ' A' ' 25' ' ' LEU . 31.4 Cg_exo -59.27 143.11 99.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.799 2.333 . . . . 0.0 112.424 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 9.5 pt-20 -58.54 -32.66 69.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.553 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.98 91.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' A' ' 22' ' ' PRO . 39.1 mt -69.72 -34.86 74.45 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.5 m -66.88 -25.99 66.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.654 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -26.11 43.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.404 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -61.4 -53.67 53.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.809 -176.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -77.22 -28.65 53.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -79.48 -27.12 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.84 26.37 27.03 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.734 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.3 m -87.78 136.87 32.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.942 0.401 . . . . 0.0 110.511 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.6 pt -108.99 136.15 45.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.627 HG12 ' HB ' ' A' ' 2' ' ' THR . 63.8 mt -118.25 127.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 110.773 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 pt -120.47 151.22 53.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.536 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.55 36.64 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.228 2.619 . . . . 0.0 112.804 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.89 146.67 18.5 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.81 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -78.0 172.93 12.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.208 0.528 . . . . 0.0 111.291 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -152.92 136.15 9.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.758 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.57 138.31 80.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.082 . . . . 0.0 111.545 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.33 -43.79 95.45 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.374 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.53 -46.1 80.78 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.86 0.362 . . . . 0.0 111.338 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.2 m-85 -92.52 10.21 31.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.89 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.78 86.7 7.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.963 0.411 . . . . 0.0 110.377 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -178.594 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.439 ' HB ' HG13 ' A' ' 35' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.821 0.343 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -107.86 109.64 21.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.182 0.515 . . . . 0.0 110.069 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.46 97.04 6.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.055 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.82 134.56 19.79 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.8 Cg_exo -81.18 165.11 19.27 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.678 2.252 . . . . 0.0 111.32 171.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t 57.24 126.34 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.922 0.868 . . . . 0.0 113.239 -177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.38 -28.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.496 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.0 -44.82 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -66.36 -33.73 76.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -55.24 -46.97 76.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.236 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 t -65.18 -46.73 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.237 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -53.01 -47.46 68.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -58.52 -47.45 84.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.664 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.7 t -75.73 -27.47 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.029 0.442 . . . . 0.0 110.6 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.0 t -65.98 -19.81 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -85.88 2.17 47.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.006 0.431 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -79.04 -49.82 1.46 Allowed Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 176.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.4 Cg_exo -70.06 164.71 33.83 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.662 1.574 . . . . 0.0 112.114 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.22 48.65 3.4 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.999 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -107.39 145.95 32.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.67 134.12 62.36 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.79 2.326 . . . . 0.0 112.877 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -62.61 -35.84 80.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.87 71.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.515 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -71.16 -44.96 64.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.6 -36.53 76.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.661 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -53.68 16.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.417 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -59.64 -40.32 87.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.77 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.84 -33.43 75.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 111.354 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.506 ' HB ' ' HB1' ' A' ' 9' ' ' ALA . 27.2 p -91.77 -9.46 43.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.29 64.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.684 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 t -88.57 143.57 26.87 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.4 pt -113.77 137.93 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.075 0.464 . . . . 0.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -109.94 107.39 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.752 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.439 HG13 ' HB ' ' A' ' 1' ' ' THR . 10.7 pt -119.63 131.35 24.42 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 10.1 Cg_exo -73.38 -15.1 25.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.3 177.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.06 169.16 25.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.41 144.79 0.07 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.542 0.687 . . . . 0.0 111.032 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -86.19 173.46 9.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.432 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' HG22 ' A' ' 1' ' ' THR . 73.0 m -82.73 139.87 43.78 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.864 0.364 . . . . 0.0 111.278 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.12 147.82 91.78 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.627 2.218 . . . . 0.0 110.663 171.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.12 -54.23 27.15 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 121.316 -0.469 . . . . 0.0 113.499 -174.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.39 -8.87 58.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 0.0 111.505 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -107.71 9.0 29.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.207 0.527 . . . . 0.0 110.155 -174.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.95 88.56 2.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.509 ' N ' HD22 ' A' ' 46' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.806 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.458 0.17 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.793 HG23 HG12 ' A' ' 34' ' ' ILE . 3.4 m -79.69 111.11 15.67 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 63.8 m -131.49 109.16 10.08 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.682 0.753 . . . . 0.0 110.903 -173.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 75.2 m -105.75 167.11 10.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.829 -174.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 31.6 Cg_endo -66.57 -156.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.822 2.348 . . . . 0.0 111.842 170.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -38.96 137.67 0.64 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.649 0.593 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.5 mt -42.18 -41.04 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -172.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.4 -34.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 111.553 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.55 80.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.328 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 50.5 ttp85 -72.82 -26.59 61.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 0.0 110.15 -178.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 t -61.5 -45.19 95.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.468 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -66.3 -21.23 66.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.419 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 39.5 t80 -63.81 -38.48 91.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.355 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.454 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -65.8 -28.57 69.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 178.438 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.28 -52.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.483 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.498 ' O ' ' HB ' ' A' ' 21' ' ' THR . 2.2 t -59.79 -41.55 91.43 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 120.991 0.424 . . . . 0.0 112.095 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.722 ' HD3' ' HB3' ' A' ' 23' ' ' GLU . 28.6 tpt85 -82.11 -6.96 59.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.358 -170.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.5 tp -68.71 -53.63 15.35 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 2.9 Cg_exo -76.86 0.94 9.13 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.373 2.049 . . . . 0.0 112.781 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.5 16.83 54.47 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.324 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 30.4 m -67.14 137.09 94.15 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.71 120.55 4.75 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.292 2.661 . . . . 0.0 113.117 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.722 ' HB3' ' HD3' ' A' ' 17' ' ' ARG . 9.8 pt-20 -71.34 -32.53 68.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.356 -175.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.61 78.44 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.63 -48.8 79.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.25 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.89 -37.24 85.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.95 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.5 . . . . 0.0 111.603 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -75.94 -28.35 57.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.037 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -91.6 -36.64 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -85.86 -17.11 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.055 0.455 . . . . 0.0 110.601 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 40.03 8.55 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.42 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -110.62 153.02 25.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.8 pt -115.35 133.83 60.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.183 0.516 . . . . 0.0 110.463 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 2' ' ' THR . 62.4 mt -119.96 97.45 5.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.956 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 33.7 pt -113.8 154.87 45.76 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.891 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 1.5 Cg_endo -83.72 13.91 2.55 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.111 2.541 . . . . 0.0 111.642 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.08 176.18 18.34 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.291 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.38 -19.69 13.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.824 0.345 . . . . 0.0 111.087 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -78.28 92.62 4.53 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 111.558 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.7 m -111.57 136.72 21.05 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.37 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.39 163.96 34.46 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.568 2.179 . . . . 0.0 112.175 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.8 -15.35 78.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.489 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.75 -48.87 57.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.142 0.496 . . . . 0.0 110.321 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 78.9 m-85 -105.07 65.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.18 87.42 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.5 HD22 ' HA ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.135 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.596 0.236 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 34' ' ' ILE . 18.7 m -111.39 119.8 40.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -122.82 137.74 54.84 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.732 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 83.5 m -120.24 175.09 2.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 32.0 Cg_exo -60.74 -150.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.837 2.358 . . . . 0.0 111.454 166.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -53.76 164.09 0.61 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.23 0.538 . . . . 0.0 111.44 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.68 -29.44 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.613 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.31 -38.57 82.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.138 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.94 97.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.358 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.79 -46.94 77.87 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.706 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.045 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -67.92 -28.3 67.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.414 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.81 -54.28 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.601 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.63 -32.86 66.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.613 0.244 . . . . 0.0 111.226 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -70.39 -24.86 26.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.093 0.473 . . . . 0.0 110.67 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.7 t -66.56 -36.71 83.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.344 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.669 ' HD2' ' HB2' ' A' ' 23' ' ' GLU . 52.3 ttt180 -82.67 -8.54 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.222 0.534 . . . . 0.0 110.76 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 55.1 tp -60.11 -53.92 60.39 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.914 -178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 37.2 Cg_endo -66.11 -15.69 49.43 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.971 1.781 . . . . 0.0 113.061 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.56 6.1 10.74 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.889 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -69.38 130.57 90.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.1 Cg_exo -50.14 130.56 28.51 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.191 2.594 . . . . 0.0 113.102 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . 38.6 tt0 -52.4 -43.83 64.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.445 -178.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.07 91.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.71 -45.56 91.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.98 -39.43 94.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.744 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.85 63.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.3 m -65.19 -33.06 75.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.485 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.67 -36.27 57.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.272 . . . . 0.0 111.257 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -93.12 -23.05 18.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.555 -172.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.39 24.94 6.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.748 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.24 137.94 34.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.791 0.329 . . . . 0.0 110.447 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.3 pt -113.06 136.48 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 2' ' ' THR . 53.1 mt -114.83 100.12 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 38' ' ' ALA . 22.0 pt -95.57 142.98 25.34 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -62.84 -44.66 15.68 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.252 1.968 . . . . 0.0 111.467 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.05 133.74 2.43 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.718 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' HD12 ' A' ' 35' ' ' ILE . . . 175.22 -97.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.016 0.526 . . . . 0.0 110.386 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -176.61 159.47 1.87 Allowed 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.685 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 67.0 m -124.81 112.08 27.23 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' A' ' 43' ' ' ASP . 10.8 Cg_endo -55.99 151.69 40.56 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.969 2.446 . . . . 0.0 112.353 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.84 36.39 0.73 Allowed Glycine 0 C--O 1.228 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.565 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 41' ' ' PRO . 24.5 t70 -122.34 -32.27 3.67 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.41 26.24 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.413 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.18 86.3 2.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.871 0.367 . . . . 0.0 111.644 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.561 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 8.5 m120 . . . . . 0 C--O 1.244 0.766 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 34' ' ' ILE . 12.0 t . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.422 HG23 HG12 ' A' ' 34' ' ' ILE . 3.7 m -72.44 120.99 18.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.587 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.21 130.81 43.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 79.2 m -97.79 160.85 27.55 Favored Pre-proline 0 C--N 1.32 -0.717 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.271 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.24 -76.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 123.122 2.548 . . . . 0.0 114.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -117.43 177.97 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.444 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.675 HG13 HD21 ' A' ' 46' ' ' ASN . 3.8 mp -57.65 -46.11 86.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.366 -170.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -59.51 -40.16 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.948 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 12.2 tpt180 -67.03 -38.04 85.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.116 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.4 t -62.08 -49.59 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.991 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.75 -36.09 80.0 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.08 -49.03 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.2 -40.09 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' SER . 96.2 t -64.7 -36.53 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -65.14 -39.07 92.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 13.4 ttp85 -78.85 -16.47 57.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.423 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 52.6 tp -54.24 -52.25 70.52 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 26.4 Cg_endo -62.33 -16.26 50.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.695 2.263 . . . . 0.0 113.032 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.15 26.81 2.85 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.901 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 32.9 m -92.92 129.06 41.11 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.657 0.265 . . . . 0.0 110.543 177.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 43.8 Cg_exo -58.28 154.45 40.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.445 2.763 . . . . 0.0 113.219 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 4.9 mt-10 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.678 -176.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.45 75.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.599 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.36 -41.31 80.86 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.07 0.462 . . . . 0.0 110.876 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -49.06 77.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -61.81 -36.18 80.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 111.198 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -78.07 -37.6 46.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.472 -174.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 t -94.87 -6.03 43.63 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.259 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.1 35.61 26.8 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.44 153.52 18.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 pt -116.82 149.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.907 -170.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 HG23 ' A' ' 1' ' ' THR . 68.3 mt -135.87 131.79 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 pt -118.88 158.16 48.46 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.55 -34.85 73.89 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.81 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.54 142.65 31.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.349 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.99 47.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 0.0 111.085 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.3 m -149.77 132.78 16.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.481 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.44 119.79 51.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.24 145.97 97.41 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.965 2.443 . . . . 0.0 112.273 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.56 65.38 3.68 Favored Glycine 0 CA--C 1.51 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.517 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -157.12 -37.23 0.07 Allowed 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.11 19.93 16.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.009 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 88.83 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.809 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.675 HD21 HG13 ' A' ' 7' ' ' ILE . 16.1 t-20 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.572 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -91.56 126.91 36.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.129 0.49 . . . . 0.0 110.963 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -125.96 111.72 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.206 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.3 m -99.69 159.0 31.12 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.23 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.68 -144.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.415 2.743 . . . . 0.0 112.382 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -48.76 154.94 0.63 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.163 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mt -52.1 -34.83 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.727 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.16 -36.24 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -68.95 -31.27 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 -178.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 10' ' ' ARG . 2.8 tpp85 -58.05 -47.44 83.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -64.46 -43.44 94.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.152 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.46 -39.77 94.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.38 -41.49 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.614 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -30.07 70.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.826 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.17 -39.45 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.656 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 43.9 t -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 17.1 ttp180 -84.69 -3.41 58.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.603 0.24 . . . . 0.0 111.337 -174.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.512 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 61.3 tp -65.69 -51.16 51.38 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 3.4 Cg_exo -76.06 22.73 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.46 2.107 . . . . 0.0 112.884 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.76 30.33 59.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.287 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -84.82 136.17 39.28 Favored Pre-proline 0 C--N 1.318 -0.786 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.89 136.04 35.99 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.999 2.466 . . . . 0.0 112.938 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -71.52 -35.05 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.827 -174.64 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.18 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -66.94 -44.69 79.98 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.0 m -67.2 -29.83 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.98 40.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 0.0 110.476 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 m -64.97 -36.82 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -63.53 -36.13 82.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.527 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.447 HG22 ' HB1' ' A' ' 9' ' ' ALA . 1.8 m -98.46 -11.2 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.257 0.551 . . . . 0.0 110.715 -175.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.68 26.49 58.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.088 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -95.22 138.82 32.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 pt -115.01 162.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.027 0.442 . . . . 0.0 111.455 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.27 124.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.428 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.492 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.0 pt -110.65 129.56 23.83 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 7.4 Cg_exo -74.62 -10.58 21.94 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.854 2.369 . . . . 0.0 112.22 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.91 178.72 40.5 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.96 143.29 0.07 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.642 0.777 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -71.55 152.39 43.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.806 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -92.12 123.3 63.09 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.714 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.06 142.44 98.4 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.835 2.357 . . . . 0.0 111.515 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . -56.7 -23.14 42.92 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.491 -176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.62 -33.1 74.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -117.6 9.97 13.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . . . -102.25 87.4 3.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.876 -177.212 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.55 0.214 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -92.74 124.2 36.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.837 0.351 . . . . 0.0 110.494 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 63.9 m -117.67 107.59 14.4 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.95 179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 92.6 m -94.37 164.42 20.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 111.256 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 9' ' ' ALA . 29.0 Cg_endo -67.63 -154.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.867 2.378 . . . . 0.0 111.848 171.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -45.06 154.68 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.341 0.591 . . . . 0.0 112.53 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -49.44 -38.1 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.823 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.68 -46.98 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.214 0.53 . . . . 0.0 110.288 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -65.7 -35.05 79.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 176.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 46' ' ' ASN . 41.4 ttt180 -57.49 -46.47 83.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.165 0.507 . . . . 0.0 110.219 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 15' ' ' VAL . 24.5 m -62.68 -41.04 98.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.873 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -60.93 -43.09 99.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.315 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.61 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.088 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -63.69 -44.72 92.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.508 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 11' ' ' SER . 98.0 t -67.88 -38.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.8 t -58.39 -43.79 88.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 21' ' ' THR . 35.7 ttt180 -83.32 -10.86 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.491 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.8 tt -59.84 -51.02 83.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.806 -176.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 73.1 Cg_endo -75.16 18.65 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 122.288 1.992 . . . . 0.0 113.785 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.05 40.77 6.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.817 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 4.1 m -101.01 135.41 19.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.02 131.38 25.59 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 0.0 112.845 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -44.25 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.025 -177.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.67 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.46 -48.36 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.007 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -67.66 -37.23 82.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.016 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.85 78.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.72 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.24 -36.32 83.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.02 0.438 . . . . 0.0 110.741 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.472 HG22 ' HB1' ' A' ' 9' ' ' ALA . 1.9 m -95.77 -23.59 16.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.578 -172.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.15 37.04 4.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.844 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.91 140.67 29.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.672 -0.311 . . . . 0.0 110.243 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -106.91 139.4 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 0.0 110.591 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.7 mp -103.91 134.75 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.671 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 pt -124.83 142.61 41.4 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.37 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.23 -28.04 48.14 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.42 2.08 . . . . 0.0 111.51 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.52 -140.24 6.42 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 69.31 22.48 6.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.464 0.705 . . . . 0.0 111.539 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 m 64.06 130.75 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.733 0.778 . . . . 0.0 112.999 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.9 t -90.08 125.98 58.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.731 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.9 Cg_exo -58.8 149.2 79.3 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.697 2.265 . . . . 0.0 111.987 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.8 58.08 Favored Glycine 0 CA--C 1.516 0.128 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.62 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.62 -23.89 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.223 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.554 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 86.3 m-85 -124.08 17.29 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.976 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.99 84.3 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.627 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.432 ' HB3' ' HB2' ' A' ' 10' ' ' ARG . 49.4 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.02 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.547 ' HB ' HG13 ' A' ' 35' ' ' ILE . 3.7 m . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m -130.74 130.28 43.58 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.59 116.53 13.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 67.7 m -100.4 161.61 23.49 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.212 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 44' ' ' TYR . 24.5 Cg_exo -66.26 -150.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.832 2.355 . . . . 0.0 110.782 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -38.94 136.97 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.71 0.404 . . . . 0.0 111.127 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -44.53 -37.01 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.496 -171.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -49.72 -46.17 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.889 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.8 78.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.28 0.562 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 57.7 ttt180 -67.87 -41.1 83.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.882 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 m -61.92 -43.85 97.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -64.46 -45.57 86.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.949 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.32 -45.37 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -63.02 -46.15 88.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.2 -176.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.53 -36.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.876 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' HB ' ' A' ' 21' ' ' THR . 54.0 t -65.19 -40.4 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -83.81 10.32 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.034 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.5 tm? -80.59 -55.01 0.75 Allowed Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.449 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 5.0 Cg_exo -77.8 31.48 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.548 2.165 . . . . 0.0 113.439 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.29 28.91 61.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 32.3 m -91.22 131.71 36.0 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -44.82 126.88 7.78 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.22 2.613 . . . . 0.0 113.411 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.7 mp0 -54.17 -47.33 72.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.86 -177.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.42 84.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.811 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.23 -38.99 92.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.082 0.468 . . . . 0.0 110.454 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.6 m -77.26 -29.7 54.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.481 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.75 -45.34 71.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.752 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -66.62 -26.02 66.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.438 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -78.47 -33.56 48.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.456 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -95.11 -35.7 11.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.016 -176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.81 25.82 7.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.517 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.4 t -96.68 148.4 22.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.0 pt -110.41 146.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.223 0.535 . . . . 0.0 111.824 -175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.4 mt -119.76 122.08 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.585 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.547 HG13 ' HB ' ' A' ' 1' ' ' THR . 21.1 pt -134.04 153.57 79.77 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.658 -175.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -91.82 77.4 0.48 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.493 2.795 . . . . 0.0 111.569 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.82 4.48 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.293 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.17 -32.69 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 t -130.34 -173.78 3.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 120.737 0.303 . . . . 0.0 110.681 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.4 m -117.02 157.5 46.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HG2' ' HE1' ' A' ' 44' ' ' TYR . 21.1 Cg_exo -66.19 176.74 3.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.892 2.395 . . . . 0.0 112.223 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.29 -28.98 23.57 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.448 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.62 -52.05 59.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.231 0.538 . . . . 0.0 110.192 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.576 ' HE1' ' HG2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -129.88 99.54 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.771 177.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.81 86.32 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.758 173.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.124 -179.27 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.549 ' HB ' HG13 ' A' ' 35' ' ' ILE . 5.3 m . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -123.48 138.94 54.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.096 0.474 . . . . 0.0 109.997 174.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.6 m -134.9 145.71 48.5 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.222 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 m -127.92 150.34 73.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -73.24 150.85 48.09 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.318 2.012 . . . . 0.0 112.181 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t 50.96 175.95 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.658 -1.156 . . . . 0.0 112.604 -173.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.84 HD13 ' HB3' ' A' ' 46' ' ' ASN . 27.1 mm -82.72 -32.0 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.309 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.31 -32.57 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.502 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -66.55 -34.32 77.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.178 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.807 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 p -69.17 -38.67 78.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.592 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -62.93 -37.61 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.006 0.431 . . . . 0.0 110.556 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.51 -41.66 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.402 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -63.96 -39.32 93.87 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.747 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -61.47 -38.92 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.931 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 11.9 t -53.8 -46.57 71.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.0 111.88 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -92.68 11.47 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.962 0.41 . . . . 0.0 111.514 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.0 tt -75.26 -55.04 2.3 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.543 177.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 73.1 Cg_endo -77.43 -41.17 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.642 1.561 . . . . 0.0 111.952 176.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.83 46.22 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.984 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.476 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 44.1 m -93.16 138.13 23.32 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 82.7 Cg_exo -46.56 121.05 4.37 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.809 2.339 . . . . 0.0 113.414 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -51.59 -50.64 59.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.257 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.48 97.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.533 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.655 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.7 tt -55.31 -45.9 76.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 110.49 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.0 m -74.09 -34.17 63.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.242 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.35 65.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 m -63.04 -40.81 98.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.39 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -81.85 -38.71 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 0.0 110.75 -174.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.549 HG22 ' HB1' ' A' ' 9' ' ' ALA . 4.2 m -81.4 -5.78 58.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.499 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.79 36.46 52.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.394 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.09 143.87 25.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -98.1 155.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.71 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -126.63 109.36 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.549 HG13 ' HB ' ' A' ' 1' ' ' THR . 18.4 pt -117.46 134.13 23.17 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.321 176.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.77 -27.96 81.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.975 2.45 . . . . 0.0 112.708 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.42 176.48 32.21 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.44 152.76 0.13 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.8 t -100.14 156.46 17.18 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.142 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.769 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 60.6 m -85.29 143.69 39.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.618 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.06 152.88 72.88 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.689 2.26 . . . . 0.0 111.579 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.27 -22.23 62.92 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 113.685 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.57 -38.88 92.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.428 . . . . 0.0 111.02 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.14 -39.07 8.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.504 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.769 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . . . -79.1 110.06 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 110.504 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.84 ' HB3' HD13 ' A' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.804 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.629 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 79.3 m . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.45 HG22 ' SG ' ' A' ' 32' ' ' CYS . 29.8 m -114.07 124.72 52.79 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.585 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.3 m -131.5 128.56 39.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -175.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -114.14 152.96 46.33 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 -172.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 Cg_exo -81.29 164.89 19.15 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.731 2.287 . . . . 0.0 111.516 172.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t 54.98 121.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 O-C-N 124.181 0.926 . . . . 0.0 113.034 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.3 mt -59.69 -30.86 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.386 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.07 -42.93 76.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.835 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -65.85 -42.79 90.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.062 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HB3' ' A' ' 13' ' ' PHE . 9.5 tmm_? -70.25 -26.06 63.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.863 0.363 . . . . 0.0 110.721 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.4 t -60.76 -55.32 34.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.27 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -68.94 -27.16 65.5 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.595 0.236 . . . . 0.0 110.501 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' HB2' HG21 ' A' ' 30' ' ' THR . 67.3 t80 -58.21 -47.49 83.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 110.749 173.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -66.91 -44.75 79.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.81 -28.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.542 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -64.65 -37.53 87.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.384 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -83.29 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.686 0.279 . . . . 0.0 111.587 -176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.544 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -63.64 -51.4 66.39 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.4 Cg_exo -71.42 2.73 4.18 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.586 2.191 . . . . 0.0 113.036 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.49 25.14 12.51 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.713 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -84.33 130.26 54.73 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 7.0 Cg_endo -50.53 138.09 39.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.311 2.674 . . . . 0.0 112.994 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.67 -44.92 93.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.219 -175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.39 87.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.333 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 1.3 tt -58.36 -54.91 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.6 m -60.74 -33.21 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.423 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.79 89.8 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.871 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.5 m -67.06 -31.26 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.342 0.591 . . . . 0.0 110.653 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -75.32 -25.04 57.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.47 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.593 HG21 ' HB2' ' A' ' 13' ' ' PHE . 7.5 p -105.34 -4.06 21.97 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.19 37.68 59.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.604 -1.284 . . . . 0.0 110.61 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.9 t -99.95 153.67 19.0 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.606 -0.797 . . . . 0.0 110.306 -173.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.2 pt -113.76 143.53 23.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.024 0.44 . . . . 0.0 111.583 -176.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.3 mt -116.32 103.37 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.705 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 pt -104.58 150.9 39.05 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -66.41 -28.5 46.35 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.302 2.668 . . . . 0.0 112.432 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.79 156.67 49.09 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.864 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.629 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -98.82 12.84 34.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.05 0.452 . . . . 0.0 111.326 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 28.3 m -152.83 128.11 9.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.317 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 m -101.7 147.55 34.01 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.237 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.04 150.17 85.51 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.565 2.177 . . . . 0.0 111.307 173.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.46 -11.12 55.83 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.842 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.62 -29.51 70.67 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 122.697 0.399 . . . . 0.0 111.388 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 6.8 t80 -141.31 30.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.094 0.473 . . . . 0.0 110.667 -173.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.99 112.88 13.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 0.0 111.715 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.492 HD22 ' HA ' ' A' ' 46' ' ' ASN . 2.4 m120 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.46 -0.781 . . . . 0.0 110.602 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.474 0.742 0 CA-C-O 120.883 0.373 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 m -92.49 124.58 36.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.797 0.332 . . . . 0.0 110.291 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -129.68 141.86 50.83 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -109.65 156.08 40.3 Favored Pre-proline 0 C--N 1.319 -0.73 0 O-C-N 122.139 -0.35 . . . . 0.0 110.377 -177.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 4.8 Cg_exo -82.19 153.56 16.46 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.536 2.157 . . . . 0.0 111.721 170.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t 56.78 152.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 114.911 -1.04 . . . . 0.0 113.562 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.1 mm -70.68 -32.22 48.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.117 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.28 -39.82 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.964 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.04 84.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.234 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.59 -50.17 74.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.883 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.0 m -60.6 -38.0 83.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.337 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -72.93 -33.64 66.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.111 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -63.78 -41.11 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.031 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.97 -39.56 90.03 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.792 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' SER . 68.6 t -61.38 -37.06 76.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.651 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -72.9 -36.8 67.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.9 tpt180 -75.55 -27.28 58.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.428 -176.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.1 tp -52.74 -53.09 58.13 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 55.3 Cg_endo -70.86 -4.99 15.87 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.656 1.57 . . . . 0.0 113.322 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.19 49.64 1.7 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.564 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -101.73 133.68 20.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 143.47 60.87 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.932 2.422 . . . . 0.0 112.042 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.8 pm0 -63.86 -33.79 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -174.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.96 88.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.07 0.462 . . . . 0.0 110.458 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.48 -47.65 75.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.17 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.4 m -68.39 -47.09 68.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.63 -37.47 65.69 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 m -67.6 -27.98 67.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.226 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -86.56 -37.42 18.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.648 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.66 -24.43 29.01 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.019 0.438 . . . . 0.0 111.598 -175.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.63 31.12 8.02 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.248 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.3 m -83.97 150.2 25.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 pt -98.78 136.94 27.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 0.0 110.13 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -110.78 102.94 14.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.144 0.497 . . . . 0.0 110.086 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.1 pt -114.09 150.89 44.33 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.545 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.46 -19.92 36.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.032 2.488 . . . . 0.0 111.904 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.49 152.25 52.56 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.75 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.08 -35.02 12.76 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.874 0.369 . . . . 0.0 110.611 -176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 37.1 m -102.4 115.7 31.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.02 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 97.5 m -90.61 132.42 35.15 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 38.9 Cg_exo -58.97 138.14 83.88 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.511 2.141 . . . . 0.0 111.296 177.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.67 -26.28 38.81 Favored Glycine 0 C--N 1.329 0.19 0 O-C-N 123.609 0.568 . . . . 0.0 112.876 -175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.86 -28.93 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.732 0.413 . . . . 0.0 111.378 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -136.8 18.81 3.05 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.015 -174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.64 94.02 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.931 0.396 . . . . 0.0 111.967 -175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 14.4 m-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.215 -0.898 . . . . 0.0 108.908 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -121.97 148.57 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.996 0.427 . . . . 0.0 110.79 -176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -115.38 129.58 56.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.606 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.9 m -111.14 118.54 47.63 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.865 0.364 . . . . 0.0 111.747 -174.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.83 -70.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.382 2.721 . . . . 0.0 112.175 173.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -72.94 140.28 47.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.093 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 46' ' ' ASN . 50.9 mt -70.97 -24.75 24.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.525 0.679 . . . . 0.0 109.742 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.18 -32.0 55.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.9 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.23 72.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.053 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -55.86 -51.73 66.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.24 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -64.14 -48.07 77.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.748 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -62.01 -39.45 92.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.564 0.221 . . . . 0.0 111.315 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 56.3 t80 -61.62 -45.59 93.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -58.66 -34.96 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.671 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.9 t -76.75 -37.41 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.113 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.6 t -65.91 -43.62 87.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.602 -178.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 21' ' ' THR . 14.3 ttp180 -85.67 -8.32 58.28 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.664 -176.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.8 tm? -54.46 -50.86 82.83 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.634 -178.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.3 Cg_exo -71.51 7.31 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.268 1.978 . . . . 0.0 113.144 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.75 34.16 8.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.662 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.545 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 39.6 m -89.19 133.57 34.83 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -48.27 132.37 23.69 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.328 2.686 . . . . 0.0 112.588 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 9.8 pt-20 -59.42 -35.06 73.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.221 -175.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HA ' HD11 ' A' ' 34' ' ' ILE . . . -60.15 -46.73 88.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.025 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.07 -42.78 95.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.413 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -75.9 -40.69 53.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.444 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.21 -56.07 22.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.392 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.1 m -61.56 -29.76 70.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.686 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -80.12 -37.1 34.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -176.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 m -87.63 -39.22 15.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.333 -173.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 31.72 0.7 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.224 -0.989 . . . . 0.0 113.058 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -113.32 142.96 45.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.7 pt -98.44 147.99 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.482 0.182 . . . . 0.0 110.949 -177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.441 HD11 ' HA ' ' A' ' 24' ' ' ALA . 54.2 mt -114.48 135.08 55.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.079 0.466 . . . . 0.0 110.721 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 pt -127.93 153.78 78.25 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.028 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.31 40.78 0.63 Allowed 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.809 2.339 . . . . 0.0 112.507 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.29 153.64 22.01 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.764 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.44 1.53 54.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.861 0.363 . . . . 0.0 111.24 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -132.07 146.4 52.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 55.4 m -110.24 149.66 40.44 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.114 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.531 ' HG2' ' HB2' ' A' ' 44' ' ' TYR . 13.3 Cg_endo -58.43 141.18 96.93 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.811 2.341 . . . . 0.0 111.704 174.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.47 -40.2 76.67 Favored Glycine 0 CA--C 1.518 0.241 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.199 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.57 -31.92 72.81 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.531 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 69.5 m-85 -104.22 22.57 14.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 -176.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.24 85.42 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.302 0.573 . . . . 0.0 109.767 173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' HB3' HG12 ' A' ' 7' ' ' ILE . 23.9 m-80 . . . . . 0 C--O 1.242 0.69 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.051 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.47 ' O ' HG12 ' A' ' 35' ' ' ILE . 28.1 m . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.582 HG23 HG12 ' A' ' 34' ' ' ILE . 7.2 m -74.96 120.8 20.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.783 0.325 . . . . 0.0 110.294 176.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -124.02 122.3 37.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 89.9 m -104.2 156.44 35.75 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-O 120.717 0.294 . . . . 0.0 110.762 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 47.2 Cg_endo -73.07 -154.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.826 2.351 . . . . 0.0 111.737 172.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -31.49 135.24 0.07 Allowed 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.022 0.826 . . . . 0.0 112.415 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 mm -45.62 -38.07 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -169.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -51.98 -32.11 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.082 0.467 . . . . 0.0 111.443 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.67 75.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 10' ' ' ARG . 19.3 ttm-85 -60.52 -39.15 86.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.913 0.387 . . . . 0.0 110.196 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.3 m -57.72 -57.7 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.302 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.5 -37.34 86.93 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.294 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.56 -41.38 90.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.231 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -71.28 -38.39 71.84 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 122.205 -0.309 . . . . 0.0 111.224 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 11' ' ' SER . 58.8 t -64.02 -34.74 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.066 0.46 . . . . 0.0 110.246 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 47.4 t -65.44 -34.41 78.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.578 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 68.2 mtm180 -84.39 -6.89 59.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.677 0.275 . . . . 0.0 111.243 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -60.19 -50.75 84.61 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.509 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.8 Cg_exo -71.54 -6.17 18.58 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 122.112 1.875 . . . . 0.0 112.305 178.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.77 15.57 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.641 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -71.54 134.15 84.48 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.21 142.9 66.14 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.991 2.46 . . . . 0.0 112.858 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 40.8 mt-10 -62.43 -38.51 90.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 -176.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.61 81.01 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.951 0.405 . . . . 0.0 111.068 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.88 -55.02 40.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.249 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.5 m -58.8 -41.65 87.24 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.66 88.96 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.937 0.399 . . . . 0.0 111.072 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 m -81.3 -32.69 33.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.35 -177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.6 -42.89 16.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.51 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -88.27 -51.99 5.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.217 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.83 85.69 0.28 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.781 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 32.8 t -164.92 158.05 16.75 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.9 pt -121.63 147.68 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.314 0.578 . . . . 0.0 111.131 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.582 HG12 HG23 ' A' ' 2' ' ' THR . 73.5 mt -121.89 107.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 1' ' ' THR . 23.0 pt -86.66 146.33 41.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.247 176.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 31.2 Cg_exo -59.33 -39.62 75.61 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.242 2.628 . . . . 0.0 113.005 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.3 176.88 25.93 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.26 141.08 0.06 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.61 0.719 . . . . 0.0 111.14 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.41 169.31 18.49 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.403 178.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.1 m -81.25 117.67 69.1 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.99 155.16 57.06 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.488 2.125 . . . . 0.0 111.625 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.09 -23.85 53.22 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.39 -0.433 . . . . 0.0 112.775 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.0 -38.91 90.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.115 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -128.61 35.38 4.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.615 0.721 . . . . 0.0 109.993 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -91.91 84.95 5.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.245 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 5' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.027 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 120.912 0.387 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 9.4 t -96.75 136.58 37.09 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 m -127.33 108.86 11.22 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.9 m -94.23 167.88 12.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.144 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 24.1 Cg_exo -66.12 -153.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.399 2.066 . . . . 0.0 112.261 172.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -59.32 170.75 0.9 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.93 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.4 mm -46.55 -49.22 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.983 -172.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.3 t -63.79 -47.54 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 110.997 -175.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' PRO . . . -62.39 -38.72 90.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.833 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 79.0 ttt180 -62.65 -38.06 88.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 110.833 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 m -65.14 -41.15 95.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.576 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -58.78 -39.85 82.25 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.905 0.383 . . . . 0.0 110.465 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.451 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 72.6 t80 -61.54 -42.01 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.659 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -72.03 -43.14 65.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.98 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -64.83 -35.87 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.065 0.459 . . . . 0.0 110.973 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -65.24 -23.67 67.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.963 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.669 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 78.8 mtm180 -92.65 10.61 29.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.096 -177.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -76.49 -52.44 2.25 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.402 176.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 87.0 Cg_endo -81.14 -168.33 0.61 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.198 1.932 . . . . 0.0 112.784 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.48 55.73 4.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.124 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 m -112.63 130.11 23.75 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -50.88 124.16 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.063 2.509 . . . . 0.0 112.936 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HG3' ' HD3' ' A' ' 17' ' ' ARG . 35.6 tt0 -57.47 -40.38 78.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.98 -39.93 79.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.017 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.83 -47.06 82.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.129 0.49 . . . . 0.0 109.706 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 76.2 m -60.52 -37.99 82.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.311 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -62.14 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -62.04 -30.52 71.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.505 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -73.2 -26.09 61.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.065 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.3 p -100.28 -9.32 22.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.369 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.99 19.42 63.06 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.374 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.8 t -96.02 136.79 36.0 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.5 pt -108.45 140.29 27.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -174.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 55.4 mt -114.15 100.13 10.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.687 176.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 pt -99.19 150.99 37.23 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.295 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.43 -10.81 28.82 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.828 2.352 . . . . 0.0 111.632 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.45 173.95 39.36 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.937 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.8 -35.68 7.27 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.559 0.219 . . . . 0.0 111.277 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -99.39 132.76 44.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.213 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.3 m -83.14 150.58 61.44 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.815 -0.175 . . . . 0.0 110.677 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.473 ' HB2' ' HD1' ' A' ' 44' ' ' TYR . 52.3 Cg_exo -56.24 147.44 66.26 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 111.932 174.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.13 -34.44 88.02 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.192 -0.528 . . . . 0.0 112.749 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -72.22 -37.25 69.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 0.0 110.285 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.473 ' HD1' ' HB2' ' A' ' 41' ' ' PRO . 93.2 m-85 -89.88 37.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.805 -176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.78 87.44 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 111.355 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.708 ' OXT' ' HD2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.338 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.7 t -126.67 148.84 49.79 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.812 0.339 . . . . 0.0 110.577 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.514 ' O ' HG12 ' A' ' 33' ' ' ILE . 97.0 m -132.68 120.35 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.349 176.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.443 ' SG ' ' HD2' ' A' ' 10' ' ' ARG . 95.8 m -98.33 142.74 25.08 Favored Pre-proline 0 C--N 1.318 -0.791 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.929 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 41.7 Cg_exo -44.06 -71.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.899 3.066 . . . . 0.0 114.655 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t -114.12 169.74 8.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.766 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.672 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.0 mt -51.54 -44.65 34.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.169 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -63.4 -39.11 84.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.314 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.46 92.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.258 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 11.7 tpt180 -68.77 -36.88 78.88 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 t -61.68 -47.98 82.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.076 176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -56.43 -40.76 75.28 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.343 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -60.25 -39.78 88.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.382 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.5 -43.75 59.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.645 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -61.81 -33.07 56.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.908 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.7 t -66.38 -23.73 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.105 0.479 . . . . 0.0 111.033 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HA ' ' HD2' ' A' ' 17' ' ' ARG . 9.2 mmm180 -87.83 0.63 55.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 110.764 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -74.38 -54.08 3.32 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.689 -179.007 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 8.1 Cg_exo -73.6 -4.26 15.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 122.389 2.059 . . . . 0.0 112.557 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.58 47.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.237 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 6.0 m -67.18 129.61 93.83 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.81 134.9 67.44 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.336 2.69 . . . . 0.0 112.919 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.3 pm0 -64.73 -33.4 75.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.818 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.51 69.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.203 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 35.5 tp -85.68 -44.81 12.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.2 m -53.58 -39.19 64.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.09 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.17 -60.32 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -69.57 -34.93 74.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.335 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 1.8 t80 -63.13 -36.94 85.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.068 -178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.5 m -93.1 -32.71 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.361 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.78 27.75 3.67 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.515 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -97.93 149.37 22.48 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 3' ' ' CYS . 37.8 pt -103.51 144.35 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.987 -171.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.2 mt -99.39 120.26 48.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.159 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.7 pt -113.29 150.71 43.49 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.28 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.99 -53.09 6.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.799 2.333 . . . . 0.0 111.943 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.66 141.99 3.35 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.116 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 76.56 -43.62 0.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 m -78.44 95.2 5.06 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.217 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.8 t -137.17 127.46 15.87 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.48 138.45 65.95 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.967 2.445 . . . . 0.0 112.788 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.45 51.94 3.73 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.603 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -170.31 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 13.5 m-85 -94.75 14.66 20.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.2 172.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.61 87.76 7.48 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.468 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.672 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 3.8 t30 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.638 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 120.816 0.341 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.424 HG23 HG12 ' A' ' 34' ' ' ILE . 7.1 m -102.82 126.49 49.97 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.189 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.7 m -132.98 116.57 16.58 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.0 m -94.94 161.9 26.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.734 0.302 . . . . 0.0 111.378 -174.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 44.8 Cg_exo -45.12 -66.65 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.706 2.937 . . . . 0.0 113.55 175.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -127.97 164.74 21.66 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.353 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.4 mt -61.08 -23.89 31.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.568 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -59.77 -38.6 76.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.46 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.05 90.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -58.4 -44.87 89.16 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.179 0.514 . . . . 0.0 109.981 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 15' ' ' VAL . 32.5 t -63.11 -49.49 74.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.618 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -64.84 -30.95 71.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.924 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -58.37 -48.55 80.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.279 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -64.12 -40.29 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.444 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 61.9 t -67.87 -40.15 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.272 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -64.95 -41.6 95.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.01 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 37.1 ttt180 -80.07 -15.49 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.371 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.577 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.9 tt -57.37 -51.47 81.47 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.985 -177.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.577 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 9.9 Cg_exo -72.92 8.21 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.636 2.224 . . . . 0.0 113.132 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.15 24.97 9.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.531 -0.843 . . . . 0.0 113.487 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -88.31 130.2 46.73 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 117.123 0.461 . . . . 0.0 110.061 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 25' ' ' LEU . 11.0 Cg_endo -54.78 138.15 76.07 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.268 2.645 . . . . 0.0 112.769 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 3.2 mp0 -46.04 -55.9 6.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.624 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.92 -40.19 72.75 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.948 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -63.33 -44.62 94.37 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.8 m -69.46 -34.63 74.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.72 87.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.674 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 93.6 m -61.25 -43.81 98.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.331 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -73.01 -31.41 64.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -175.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.0 p -83.77 -4.92 59.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.081 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.35 29.92 69.71 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.245 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 19.1 t -87.06 153.03 21.85 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -118.1 146.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.464 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG12 HG23 ' A' ' 2' ' ' THR . 66.5 mt -121.73 102.99 12.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.689 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.7 pt -100.61 149.96 36.57 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.9 -26.91 43.83 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 123.097 2.531 . . . . 0.0 112.189 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.6 -172.97 39.72 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.674 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.28 8.84 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.192 0.52 . . . . 0.0 110.409 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.2 m -80.99 71.57 7.96 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.192 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.729 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -108.24 115.95 57.45 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.646 171.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.77 156.82 55.47 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.649 2.233 . . . . 0.0 112.408 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.0 56.19 2.69 Favored Glycine 0 C--N 1.33 0.239 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.548 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -162.83 -40.7 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -94.23 -22.21 18.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.932 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.729 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -77.79 96.91 5.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.336 -0.84 . . . . 0.0 109.719 176.54 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.479 ' OG1' ' HA ' ' A' ' 38' ' ' ALA . 87.6 m . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.77 0.319 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.402 HG22 ' SG ' ' A' ' 32' ' ' CYS . 7.6 m -88.11 128.55 35.43 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.987 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' O ' HG12 ' A' ' 33' ' ' ILE . 2.7 m -129.83 113.69 14.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.046 0.451 . . . . 0.0 109.944 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 72.4 m -95.62 152.84 39.43 Favored Pre-proline 0 C--N 1.316 -0.885 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.585 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.55 -74.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 124.006 3.138 . . . . 0.0 114.471 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -135.56 -172.06 2.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.987 0.422 . . . . 0.0 110.89 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.749 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 63.7 mt -55.67 -43.48 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.313 -172.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.01 -37.79 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.445 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.07 99.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.644 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 23.4 ttm180 -62.97 -41.78 99.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 15' ' ' VAL . 57.2 m -59.99 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.688 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -71.09 -31.77 68.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.578 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -61.51 -45.09 95.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.136 0.493 . . . . 0.0 109.898 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -63.21 -38.72 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.146 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 11' ' ' SER . 86.5 t -63.83 -39.92 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.778 177.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.7 t -65.46 -46.33 80.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.529 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 21' ' ' THR . 39.8 ttt-85 -82.91 -7.93 59.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.462 -174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -49.9 -52.26 53.7 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -177.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 44.1 Cg_endo -70.9 2.52 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 122.356 2.037 . . . . 0.0 113.559 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.64 30.27 6.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.861 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.626 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 6.3 m -80.28 138.24 52.28 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.82 145.68 71.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.06 -45.85 86.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.996 -178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.56 85.14 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.112 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.76 -55.02 38.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.804 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.4 m -66.4 -28.37 68.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.534 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.28 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.056 0.455 . . . . 0.0 109.982 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -78.12 -29.03 48.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.528 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -67.83 -42.55 81.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.069 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -102.59 -20.3 14.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.987 0.422 . . . . 0.0 111.456 -171.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.21 34.72 6.01 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.1 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' HG22 ' A' ' 2' ' ' THR . 32.3 t -99.84 146.65 26.37 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 3' ' ' CYS . 38.6 pt -110.95 149.06 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.237 0.541 . . . . 0.0 111.737 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.0 mm -106.71 138.96 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.368 177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.3 pt -127.07 143.04 45.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.494 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.51 -22.91 58.22 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.871 2.381 . . . . 0.0 111.807 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.57 -175.79 41.38 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.677 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HA ' ' OG1' ' A' ' 1' ' ' THR . . . -113.62 -23.69 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 111.393 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 m -106.96 117.16 33.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.024 0.44 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.96 136.55 50.58 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.442 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.52 118.47 5.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.565 2.177 . . . . 0.0 111.195 173.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . -59.21 -20.09 48.81 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 116.276 -0.42 . . . . 0.0 113.428 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.39 -24.46 66.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.596 0.359 . . . . 0.0 110.57 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -145.12 36.73 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.01 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . . . -117.74 100.14 7.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -174.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.749 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 1.9 t30 . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 168.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.758 0.313 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.494 HG22 ' SG ' ' A' ' 32' ' ' CYS . 10.3 m -101.51 131.16 47.82 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.4 m -132.67 123.62 26.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.13 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.0 m -103.7 163.65 16.97 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.54 -73.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.302 2.668 . . . . 0.0 113.584 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -92.78 161.25 14.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.263 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.511 ' CG1' HD21 ' A' ' 46' ' ' ASN . 59.2 mt -67.91 -40.67 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.095 0.474 . . . . 0.0 109.888 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.51 -34.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.608 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -36.81 84.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.626 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -64.97 -46.92 79.48 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.738 0.304 . . . . 0.0 110.606 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.2 m -59.24 -48.56 81.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.11 -29.78 69.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.089 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 23' ' ' GLU . 66.6 t80 -67.89 -38.34 82.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.074 0.464 . . . . 0.0 109.875 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -68.43 -30.35 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 11' ' ' SER . 80.4 t -60.05 -42.19 88.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 173.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.767 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 5.4 t -60.57 -47.34 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.179 174.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.932 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 29.9 mtp180 -82.85 10.4 7.84 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.7 tt -80.88 -57.64 0.57 Allowed Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 59.3 Cg_endo -72.72 -20.52 22.81 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.747 1.631 . . . . 0.0 112.045 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.32 63.12 0.49 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.426 -0.893 . . . . 0.0 112.438 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.767 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.5 m -117.37 134.91 23.06 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -50.31 134.62 38.27 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.306 2.671 . . . . 0.0 113.569 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.932 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 33.4 mt-10 -57.31 -50.32 73.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.353 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.26 78.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.395 -174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.2 -49.33 78.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.125 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.8 m -80.25 -41.98 24.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.014 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.75 -34.68 69.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.918 0.389 . . . . 0.0 111.759 -175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.0 m -66.23 -26.14 67.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -89.59 -37.34 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.666 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.71 -19.41 57.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.367 . . . . 0.0 111.353 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.28 13.93 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.465 -0.874 . . . . 0.0 110.957 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 2' ' ' THR . 38.5 t -106.43 142.85 35.43 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 -177.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.2 pt -103.71 141.38 19.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.324 0.583 . . . . 0.0 111.844 -172.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.95 115.76 48.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.885 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.0 pt -119.86 142.66 33.59 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.83 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 3.3 Cg_exo -77.2 74.32 5.11 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.717 2.278 . . . . 0.0 111.321 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.02 -148.26 6.42 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.839 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.99 19.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.944 0.402 . . . . 0.0 110.91 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.6 m -124.87 93.61 3.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.102 0.477 . . . . 0.0 110.85 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.1 131.3 24.47 Favored Pre-proline 0 C--N 1.318 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.619 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.23 134.84 61.78 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.247 1.964 . . . . 0.0 111.048 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.99 -30.03 29.18 Favored Glycine 0 CA--C 1.521 0.43 0 O-C-N 123.387 0.429 . . . . 0.0 113.466 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.62 -21.98 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.369 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.91 26.34 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.204 0.526 . . . . 0.0 110.657 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.05 96.95 6.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.066 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.511 HD21 ' CG1' ' A' ' 7' ' ' ILE . 16.8 t-20 . . . . . 0 C--O 1.243 0.742 0 CA-C-O 118.255 -0.879 . . . . 0.0 109.534 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.607 ' HB ' HG23 ' A' ' 35' ' ' ILE . 27.8 m . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 m -108.88 128.87 55.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.806 0.336 . . . . 0.0 110.338 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 82.9 m -130.97 142.03 50.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.086 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 t -147.47 137.76 12.53 Favored Pre-proline 0 C--N 1.318 -0.763 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 6.4 Cg_exo -73.3 156.05 50.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 111.191 175.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t 57.32 129.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.995 0.903 . . . . 0.0 112.721 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.679 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 53.1 mt -63.13 -28.09 44.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.506 178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.7 t -67.95 -31.9 53.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.628 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.91 -40.85 68.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.76 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' HE ' ' C ' ' A' ' 46' ' ' ASN . 14.1 ttm180 -60.66 -41.19 94.5 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.714 0.292 . . . . 0.0 110.467 176.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.2 t -58.12 -48.92 78.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.076 177.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.64 -33.54 76.14 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -60.26 -45.26 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.991 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -71.71 -41.8 68.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' SER . 93.4 t -63.81 -30.35 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 110.695 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.9 t -60.45 -33.28 72.33 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 59.9 mtp180 -88.9 -5.88 57.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.2 -177.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.2 tp -65.95 -50.11 54.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.79 -176.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.552 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 11.2 Cg_exo -71.62 -31.89 12.76 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.668 1.579 . . . . 0.0 111.791 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.76 73.32 0.16 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.324 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.9 m -135.17 136.13 24.09 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 68.8 Cg_exo -51.75 140.44 46.93 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.347 2.698 . . . . 0.0 112.98 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.626 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -63.75 -42.12 97.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.332 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.09 99.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.212 0.53 . . . . 0.0 110.402 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.5 -49.11 79.05 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.185 178.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -60.82 -44.63 96.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.26 82.54 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 m -69.43 -27.42 65.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 110.6 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -77.2 -35.85 55.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 p -88.97 -34.74 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 0.0 111.774 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.75 29.63 3.52 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.052 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.94 142.91 28.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.9 150.11 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.092 0.472 . . . . 0.0 111.189 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.97 112.19 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.428 0.632 . . . . 0.0 110.101 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.607 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.4 tt -109.43 128.84 24.7 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.602 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.67 -9.73 19.92 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.457 2.104 . . . . 0.0 112.041 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.512 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -92.38 144.32 17.03 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.247 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.52 53.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.104 0.478 . . . . 0.0 111.598 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.2 m -154.68 125.44 7.06 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 48.7 t -119.74 136.99 25.14 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 120.699 0.285 . . . . 0.0 110.486 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 29.5 Cg_exo -61.13 150.71 83.14 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.081 2.52 . . . . 0.0 111.971 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.52 -29.64 69.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.653 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -83.93 -10.89 57.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.99 0.424 . . . . 0.0 110.724 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.48 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 50.1 m-85 -113.76 14.26 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.647 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 46' ' ' ASN . . . -80.1 85.18 5.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.656 -175.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.5 t30 . . . . . 0 C--O 1.247 0.95 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 121.091 0.472 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.576 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.2 m -97.34 130.39 44.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.103 178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m -126.31 114.62 18.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.53 ' HB2' ' OXT' ' A' ' 46' ' ' ASN . 59.5 m -105.16 160.28 26.52 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.03 -176.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 6' ' ' SER . 64.1 Cg_exo -57.51 -113.55 0.0 OUTLIER 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 123.647 2.898 . . . . 0.0 113.394 175.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 18.8 t -75.34 169.45 18.04 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 121.362 -0.836 . . . . 0.0 110.609 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.925 ' HA ' HD21 ' A' ' 46' ' ' ASN . 43.9 mt -58.68 -37.28 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.621 -173.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -52.59 -40.44 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.474 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.74 -14.7 63.17 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.685 -176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -97.96 -40.83 8.28 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.953 0.406 . . . . 0.0 110.468 176.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.7 m -57.75 -39.62 77.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.51 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -83.56 -27.73 29.08 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.87 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -62.99 -41.36 99.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -67.18 -16.85 64.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.225 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.15 -46.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.91 -30.7 70.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.618 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.527 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 14.7 tpt180 -94.53 8.31 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.261 0.553 . . . . 0.0 110.726 -177.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.0 tm? -63.67 -52.05 61.47 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 93.2 Cg_endo -89.74 -166.72 0.23 Allowed 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.744 1.629 . . . . 0.0 112.553 176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.11 58.11 3.98 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.42 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 m -106.18 134.87 19.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.629 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 94.3 Cg_exo -46.31 133.98 15.68 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.247 2.631 . . . . 0.0 112.812 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 6.5 mt-10 -74.38 -41.22 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 -173.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.27 83.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.872 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.3 tt -53.37 -55.88 21.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.204 175.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 m -66.37 -39.88 89.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.05 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.75 94.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.526 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.3 m -67.16 -29.58 69.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 0.0 110.761 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -71.51 -35.32 70.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.7 p -90.97 -28.88 17.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 111.646 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.92 24.65 8.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.605 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.576 ' SG ' HG22 ' A' ' 2' ' ' THR . 46.1 t -93.47 154.61 17.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 pt -115.53 139.57 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.178 0.513 . . . . 0.0 111.543 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 HG23 ' A' ' 2' ' ' THR . 72.9 mt -111.37 112.74 41.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.896 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.4 pt -106.46 137.81 19.55 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.039 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.74 -18.17 62.88 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.992 2.462 . . . . 0.0 113.131 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.16 166.97 12.75 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 121.463 -0.399 . . . . 0.0 113.212 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.13 -23.04 14.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.911 0.386 . . . . 0.0 110.725 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.7 t -109.96 166.9 10.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.906 0.384 . . . . 0.0 110.55 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.4 t -152.38 128.05 5.02 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.54 135.46 66.52 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.046 2.497 . . . . 0.0 112.542 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.79 -28.13 65.23 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.969 -0.56 . . . . 0.0 113.566 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -64.93 -22.18 66.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.832 0.348 . . . . 0.0 111.402 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -132.39 23.65 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.571 0.701 . . . . 0.0 109.33 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.5 89.0 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.18 -177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.925 HD21 ' HA ' ' A' ' 7' ' ' ILE . 2.4 t30 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.116 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.714 0.293 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.627 ' HB ' HG12 ' A' ' 34' ' ' ILE . 5.4 t -100.89 136.05 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.809 0.338 . . . . 0.0 110.156 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 38.8 m -125.26 131.83 53.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.846 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 89.2 m -115.76 154.32 48.08 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.494 -174.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.99 -71.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.261 2.641 . . . . 0.0 113.306 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -114.98 168.76 9.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.499 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.56 -28.52 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.425 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.28 -39.11 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.109 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -68.12 -35.61 78.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.063 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 35.7 ttm-85 -67.67 -36.74 81.27 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.217 0.532 . . . . 0.0 110.143 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 m -68.88 -41.77 77.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.923 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.44 -27.52 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.353 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 57.4 t80 -55.59 -51.58 66.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.917 0.389 . . . . 0.0 110.654 175.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -63.73 -43.77 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.044 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.45 -43.47 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.299 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 40.4 t -63.29 -36.06 82.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.493 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 61.9 mtp180 -91.65 2.87 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -73.39 -56.33 3.2 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-O 119.641 -0.218 . . . . 0.0 111.343 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -65.45 -36.65 33.65 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.207 1.938 . . . . 0.0 112.42 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.94 67.35 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.363 -0.923 . . . . 0.0 112.465 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 24.1 m -132.75 132.75 22.75 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 176.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' HD2' HD12 ' A' ' 25' ' ' LEU . 31.4 Cg_exo -59.27 143.11 99.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.799 2.333 . . . . 0.0 112.424 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 9.5 pt-20 -58.54 -32.66 69.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.553 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.46 -45.98 91.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.036 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' A' ' 22' ' ' PRO . 39.1 mt -69.72 -34.86 74.45 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.5 m -66.88 -25.99 66.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.654 177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.05 -26.11 43.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.404 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.6 m -61.4 -53.67 53.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.809 -176.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -77.22 -28.65 53.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -79.48 -27.12 41.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.913 0.387 . . . . 0.0 111.417 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.84 26.37 27.03 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.734 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 76.3 m -87.78 136.87 32.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.942 0.401 . . . . 0.0 110.511 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.6 pt -108.99 136.15 45.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.627 HG12 ' HB ' ' A' ' 2' ' ' THR . 63.8 mt -118.25 127.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 110.773 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 30.9 pt -120.47 151.22 53.53 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.536 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.55 36.64 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 123.228 2.619 . . . . 0.0 112.804 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.89 146.67 18.5 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.81 75.96 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 t -78.0 172.93 12.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.208 0.528 . . . . 0.0 111.291 -173.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 41.7 t -152.92 136.15 9.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.758 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.57 138.31 80.37 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.082 . . . . 0.0 111.545 175.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.33 -43.79 95.45 Favored Glycine 0 N--CA 1.453 -0.176 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.374 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -56.53 -46.1 80.78 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.86 0.362 . . . . 0.0 111.338 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.2 m-85 -92.52 10.21 31.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.89 -176.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.78 86.7 7.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.963 0.411 . . . . 0.0 110.377 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -178.594 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.439 ' HB ' HG13 ' A' ' 35' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.821 0.343 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -107.86 109.64 21.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.182 0.515 . . . . 0.0 110.069 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.7 m -110.46 97.04 6.58 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.055 -174.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.82 134.56 19.79 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.8 Cg_exo -81.18 165.11 19.27 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.678 2.252 . . . . 0.0 111.32 171.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t 57.24 126.34 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.922 0.868 . . . . 0.0 113.239 -177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.38 -28.64 44.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.496 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.0 -44.82 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.602 177.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . -66.36 -33.73 76.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.733 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -55.24 -46.97 76.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.236 172.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.0 t -65.18 -46.73 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.237 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -53.01 -47.46 68.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -58.52 -47.45 84.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.664 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.7 t -75.73 -27.47 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.029 0.442 . . . . 0.0 110.6 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.0 t -65.98 -19.81 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.16 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -85.88 2.17 47.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.006 0.431 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 60.7 tp -79.04 -49.82 1.46 Allowed Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.151 176.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.4 Cg_exo -70.06 164.71 33.83 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.662 1.574 . . . . 0.0 112.114 174.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.22 48.65 3.4 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.999 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.4 t -107.39 145.95 32.28 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -56.67 134.12 62.36 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.79 2.326 . . . . 0.0 112.877 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -62.61 -35.84 80.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.87 71.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.515 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -71.16 -44.96 64.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.6 -36.53 76.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.661 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.06 -53.68 16.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.417 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.1 m -59.64 -40.32 87.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.77 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -66.84 -33.43 75.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 111.354 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.506 ' HB ' ' HB1' ' A' ' 9' ' ' ALA . 27.2 p -91.77 -9.46 43.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.42 21.29 64.82 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.684 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 t -88.57 143.57 26.87 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.4 pt -113.77 137.93 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.075 0.464 . . . . 0.0 111.114 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -109.94 107.39 22.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.752 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.439 HG13 ' HB ' ' A' ' 1' ' ' THR . 10.7 pt -119.63 131.35 24.42 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -178.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 10.1 Cg_exo -73.38 -15.1 25.22 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.908 2.405 . . . . 0.0 112.3 177.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.06 169.16 25.08 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.41 144.79 0.07 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 121.542 0.687 . . . . 0.0 111.032 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -86.19 173.46 9.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.432 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' HG22 ' A' ' 1' ' ' THR . 73.0 m -82.73 139.87 43.78 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.864 0.364 . . . . 0.0 111.278 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -60.12 147.82 91.78 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.627 2.218 . . . . 0.0 110.663 171.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.12 -54.23 27.15 Favored Glycine 0 C--N 1.328 0.137 0 C-N-CA 121.316 -0.469 . . . . 0.0 113.499 -174.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.39 -8.87 58.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.782 0.325 . . . . 0.0 111.505 -177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -107.71 9.0 29.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.207 0.527 . . . . 0.0 110.155 -174.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.95 88.56 2.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.452 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.509 ' N ' HD22 ' A' ' 46' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.806 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.1 p . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.458 0.17 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.793 HG23 HG12 ' A' ' 34' ' ' ILE . 3.4 m -79.69 111.11 15.67 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 63.8 m -131.49 109.16 10.08 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.682 0.753 . . . . 0.0 110.903 -173.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 75.2 m -105.75 167.11 10.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.829 -174.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 31.6 Cg_endo -66.57 -156.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.822 2.348 . . . . 0.0 111.842 170.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -38.96 137.67 0.64 Allowed 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.649 0.593 . . . . 0.0 111.622 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.5 mt -42.18 -41.04 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -172.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.4 -34.86 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 111.553 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.55 80.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.328 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 50.5 ttp85 -72.82 -26.59 61.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.064 0.459 . . . . 0.0 110.15 -178.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 t -61.5 -45.19 95.28 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.468 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -66.3 -21.23 66.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.419 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 39.5 t80 -63.81 -38.48 91.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.355 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.454 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -65.8 -28.57 69.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.044 178.438 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.28 -52.81 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.483 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' O ' ' HB ' ' A' ' 21' ' ' THR . 2.2 t -59.79 -41.55 91.43 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 120.991 0.424 . . . . 0.0 112.095 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.722 ' HD3' ' HB3' ' A' ' 23' ' ' GLU . 28.6 tpt85 -82.11 -6.96 59.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.358 -170.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.5 tp -68.71 -53.63 15.35 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -177.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 2.9 Cg_exo -76.86 0.94 9.13 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 122.373 2.049 . . . . 0.0 112.781 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.5 16.83 54.47 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.324 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 30.4 m -67.14 137.09 94.15 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.71 120.55 4.75 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.292 2.661 . . . . 0.0 113.117 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.722 ' HB3' ' HD3' ' A' ' 17' ' ' ARG . 9.8 pt-20 -71.34 -32.53 68.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.356 -175.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -37.61 78.44 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.4 tp -61.63 -48.8 79.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.25 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.89 -37.24 85.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.95 68.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.151 0.5 . . . . 0.0 111.603 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.8 m -75.94 -28.35 57.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.037 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -91.6 -36.64 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.965 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -85.86 -17.11 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.055 0.455 . . . . 0.0 110.601 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.6 40.03 8.55 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.143 -0.551 . . . . 0.0 113.42 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 52.8 t -110.62 153.02 25.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 29.8 pt -115.35 133.83 60.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.183 0.516 . . . . 0.0 110.463 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 2' ' ' THR . 62.4 mt -119.96 97.45 5.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.956 -178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 33.7 pt -113.8 154.87 45.76 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.891 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 1.5 Cg_endo -83.72 13.91 2.55 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.111 2.541 . . . . 0.0 111.642 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.08 176.18 18.34 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.291 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.38 -19.69 13.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.824 0.345 . . . . 0.0 111.087 -175.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -78.28 92.62 4.53 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.432 0.634 . . . . 0.0 111.558 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.7 m -111.57 136.72 21.05 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.37 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.39 163.96 34.46 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.568 2.179 . . . . 0.0 112.175 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.8 -15.35 78.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.489 -177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -69.75 -48.87 57.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.142 0.496 . . . . 0.0 110.321 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 78.9 m-85 -105.07 65.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.18 87.42 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.5 HD22 ' HA ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.135 177.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.596 0.236 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.568 HG23 HG12 ' A' ' 34' ' ' ILE . 18.7 m -111.39 119.8 40.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -122.82 137.74 54.84 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.732 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 83.5 m -120.24 175.09 2.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 -175.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 32.0 Cg_exo -60.74 -150.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.837 2.358 . . . . 0.0 111.454 166.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -53.76 164.09 0.61 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.23 0.538 . . . . 0.0 111.44 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.68 -29.44 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.613 -176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.31 -38.57 82.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 110.138 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.94 97.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.358 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.79 -46.94 77.87 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.706 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -59.19 -46.82 87.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.045 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -67.92 -28.3 67.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.414 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.81 -54.28 41.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.601 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -72.63 -32.86 66.22 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.613 0.244 . . . . 0.0 111.226 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -70.39 -24.86 26.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.093 0.473 . . . . 0.0 110.67 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.7 t -66.56 -36.71 83.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.344 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.669 ' HD2' ' HB2' ' A' ' 23' ' ' GLU . 52.3 ttt180 -82.67 -8.54 59.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.222 0.534 . . . . 0.0 110.76 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 55.1 tp -60.11 -53.92 60.39 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.914 -178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 37.2 Cg_endo -66.11 -15.69 49.43 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.971 1.781 . . . . 0.0 113.061 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.56 6.1 10.74 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.889 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -69.38 130.57 90.76 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 177.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.1 Cg_exo -50.14 130.56 28.51 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.191 2.594 . . . . 0.0 113.102 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HB2' ' HD2' ' A' ' 17' ' ' ARG . 38.6 tt0 -52.4 -43.83 64.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.445 -178.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.07 91.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -59.71 -45.56 91.78 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.98 -39.43 94.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.744 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.85 63.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.3 m -65.19 -33.06 75.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.485 -177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.67 -36.27 57.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.67 0.272 . . . . 0.0 111.257 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.6 m -93.12 -23.05 18.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.555 -172.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.39 24.94 6.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.748 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 71.4 m -96.24 137.94 34.57 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.791 0.329 . . . . 0.0 110.447 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.3 pt -113.06 136.48 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.568 HG12 HG23 ' A' ' 2' ' ' THR . 53.1 mt -114.83 100.12 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.319 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 38' ' ' ALA . 22.0 pt -95.57 142.98 25.34 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.729 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -62.84 -44.66 15.68 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.252 1.968 . . . . 0.0 111.467 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.05 133.74 2.43 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.718 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' HD12 ' A' ' 35' ' ' ILE . . . 175.22 -97.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.016 0.526 . . . . 0.0 110.386 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 t -176.61 159.47 1.87 Allowed 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.685 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 67.0 m -124.81 112.08 27.23 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' A' ' 43' ' ' ASP . 10.8 Cg_endo -55.99 151.69 40.56 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.969 2.446 . . . . 0.0 112.353 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.84 36.39 0.73 Allowed Glycine 0 C--O 1.228 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.565 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 41' ' ' PRO . 24.5 t70 -122.34 -32.27 3.67 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -133.41 26.24 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.413 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.18 86.3 2.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.871 0.367 . . . . 0.0 111.644 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.561 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 8.5 m120 . . . . . 0 C--O 1.244 0.766 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.537 HG23 HG23 ' A' ' 34' ' ' ILE . 12.0 t . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.005 0.431 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.422 HG23 HG12 ' A' ' 34' ' ' ILE . 3.7 m -72.44 120.99 18.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.587 -177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.8 m -131.21 130.81 43.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.088 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 79.2 m -97.79 160.85 27.55 Favored Pre-proline 0 C--N 1.32 -0.717 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.271 -175.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.24 -76.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 123.122 2.548 . . . . 0.0 114.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -117.43 177.97 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.444 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.675 HG13 HD21 ' A' ' 46' ' ' ASN . 3.8 mp -57.65 -46.11 86.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.366 -170.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.8 t -59.51 -40.16 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.46 96.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.948 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HD3' ' OXT' ' A' ' 46' ' ' ASN . 12.2 tpt180 -67.03 -38.04 85.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.116 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 15' ' ' VAL . 18.4 t -62.08 -49.59 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.991 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.75 -36.09 80.0 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.81 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.08 -49.03 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.2 -40.09 90.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' SER . 96.2 t -64.7 -36.53 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 176.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.7 t -65.14 -39.07 92.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' NE ' ' HG2' ' A' ' 23' ' ' GLU . 13.4 ttp85 -78.85 -16.47 57.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.423 -177.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 52.6 tp -54.24 -52.25 70.52 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 26.4 Cg_endo -62.33 -16.26 50.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 122.695 2.263 . . . . 0.0 113.032 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.15 26.81 2.85 Favored Glycine 0 CA--C 1.517 0.213 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.901 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 32.9 m -92.92 129.06 41.11 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.657 0.265 . . . . 0.0 110.543 177.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 43.8 Cg_exo -58.28 154.45 40.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.445 2.763 . . . . 0.0 113.219 -177.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HG2' ' NE ' ' A' ' 17' ' ' ARG . 4.9 mt-10 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.678 -176.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.83 -38.45 75.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.599 -175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.36 -41.31 80.86 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.07 0.462 . . . . 0.0 110.876 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.62 -49.06 77.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -61.81 -36.18 80.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 111.198 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -78.07 -37.6 46.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.472 -174.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 t -94.87 -6.03 43.63 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.259 -176.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.1 35.61 26.8 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.116 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 t -93.44 153.52 18.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.4 pt -116.82 149.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.907 -170.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.537 HG23 HG23 ' A' ' 1' ' ' THR . 68.3 mt -135.87 131.79 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.235 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 pt -118.88 158.16 48.46 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.748 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -62.55 -34.85 73.89 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.81 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.54 142.65 31.54 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.349 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.99 47.12 1.46 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.964 0.411 . . . . 0.0 111.085 -178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.3 m -149.77 132.78 16.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.481 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.0 t -105.44 119.79 51.65 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.167 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.24 145.97 97.41 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.965 2.443 . . . . 0.0 112.273 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.56 65.38 3.68 Favored Glycine 0 CA--C 1.51 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.517 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -157.12 -37.23 0.07 Allowed 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.11 19.93 16.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.009 177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.5 88.83 5.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.809 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.675 HD21 HG13 ' A' ' 7' ' ' ILE . 16.1 t-20 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.572 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -91.56 126.91 36.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.129 0.49 . . . . 0.0 110.963 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.1 m -125.96 111.72 15.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.206 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 94.3 m -99.69 159.0 31.12 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.23 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.68 -144.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.415 2.743 . . . . 0.0 112.382 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -48.76 154.94 0.63 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.163 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.7 mt -52.1 -34.83 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.727 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.16 -36.24 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -68.95 -31.27 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 -178.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 10' ' ' ARG . 2.8 tpp85 -58.05 -47.44 83.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 m -64.46 -43.44 94.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.152 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.46 -39.77 94.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -60.38 -41.49 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.614 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -30.07 70.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.826 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.0 t -76.17 -39.45 35.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.656 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 43.9 t -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HD2' ' HB3' ' A' ' 23' ' ' GLU . 17.1 ttp180 -84.69 -3.41 58.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.603 0.24 . . . . 0.0 111.337 -174.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 61.3 tp -65.69 -51.16 51.38 Favored Pre-proline 0 CA--C 1.541 0.633 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 3.4 Cg_exo -76.06 22.73 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.46 2.107 . . . . 0.0 112.884 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.76 30.33 59.87 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.287 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -84.82 136.17 39.28 Favored Pre-proline 0 C--N 1.318 -0.786 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.89 136.04 35.99 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.999 2.466 . . . . 0.0 112.938 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.508 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -71.52 -35.05 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.827 -174.64 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.18 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.86 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -66.94 -44.69 79.98 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.635 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.0 m -67.2 -29.83 69.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.07 -54.98 40.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 0.0 110.476 177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 m -64.97 -36.82 85.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -63.53 -36.13 82.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.527 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.447 HG22 ' HB1' ' A' ' 9' ' ' ALA . 1.8 m -98.46 -11.2 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.257 0.551 . . . . 0.0 110.715 -175.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.68 26.49 58.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.088 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 46.5 t -95.22 138.82 32.41 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 pt -115.01 162.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.027 0.442 . . . . 0.0 111.455 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -129.27 124.94 61.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.428 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.492 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 18.0 pt -110.65 129.56 23.83 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 7.4 Cg_exo -74.62 -10.58 21.94 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.854 2.369 . . . . 0.0 112.22 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.91 178.72 40.5 Favored Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 73.96 143.29 0.07 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.642 0.777 . . . . 0.0 110.75 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -71.55 152.39 43.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.806 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -92.12 123.3 63.09 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.714 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.06 142.44 98.4 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.835 2.357 . . . . 0.0 111.515 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 45' ' ' ALA . . . -56.7 -23.14 42.92 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.491 -176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.62 -33.1 74.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.785 0.326 . . . . 0.0 111.265 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -117.6 9.97 13.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . . . -102.25 87.4 3.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.876 -177.212 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.55 0.214 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.1 m -92.74 124.2 36.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.837 0.351 . . . . 0.0 110.494 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB3' ' HB3' ' A' ' 44' ' ' TYR . 63.9 m -117.67 107.59 14.4 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.95 179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 92.6 m -94.37 164.42 20.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 111.256 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HG2' ' CB ' ' A' ' 9' ' ' ALA . 29.0 Cg_endo -67.63 -154.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.867 2.378 . . . . 0.0 111.848 171.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -45.06 154.68 0.14 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.341 0.591 . . . . 0.0 112.53 -177.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.8 mt -49.44 -38.1 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.823 -172.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.68 -46.98 92.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.214 0.53 . . . . 0.0 110.288 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -65.7 -35.05 79.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 176.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 46' ' ' ASN . 41.4 ttt180 -57.49 -46.47 83.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.165 0.507 . . . . 0.0 110.219 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 15' ' ' VAL . 24.5 m -62.68 -41.04 98.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.873 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -60.93 -43.09 99.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.315 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -59.61 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.088 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -63.69 -44.72 92.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.508 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 11' ' ' SER . 98.0 t -67.88 -38.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.814 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.8 t -58.39 -43.79 88.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 21' ' ' THR . 35.7 ttt180 -83.32 -10.86 58.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.491 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.8 tt -59.84 -51.02 83.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.806 -176.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 73.1 Cg_endo -75.16 18.65 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 122.288 1.992 . . . . 0.0 113.785 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.05 40.77 6.9 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.817 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 4.1 m -101.01 135.41 19.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.02 131.38 25.59 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.28 2.653 . . . . 0.0 112.845 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -44.25 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.025 -177.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.18 -38.67 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.46 -48.36 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.007 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 77.3 m -67.66 -37.23 82.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.016 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.85 78.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.942 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.4 m -66.32 -39.49 89.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.72 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.24 -36.32 83.77 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.02 0.438 . . . . 0.0 110.741 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.472 HG22 ' HB1' ' A' ' 9' ' ' ALA . 1.9 m -95.77 -23.59 16.88 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.578 -172.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.15 37.04 4.74 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.844 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 73.7 m -94.91 140.67 29.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.672 -0.311 . . . . 0.0 110.243 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.6 pt -106.91 139.4 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 0.0 110.591 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.7 mp -103.91 134.75 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.671 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 pt -124.83 142.61 41.4 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.37 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.23 -28.04 48.14 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.42 2.08 . . . . 0.0 111.51 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.52 -140.24 6.42 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.837 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 69.31 22.48 6.59 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.464 0.705 . . . . 0.0 111.539 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 m 64.06 130.75 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.733 0.778 . . . . 0.0 112.999 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 26.9 t -90.08 125.98 58.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.731 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.9 Cg_exo -58.8 149.2 79.3 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.697 2.265 . . . . 0.0 111.987 178.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.8 58.08 Favored Glycine 0 CA--C 1.516 0.128 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.62 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.62 -23.89 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.223 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.554 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 86.3 m-85 -124.08 17.29 9.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.976 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.99 84.3 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.627 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' HB3' ' HB2' ' A' ' 10' ' ' ARG . 49.4 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.02 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.547 ' HB ' HG13 ' A' ' 35' ' ' ILE . 3.7 m . . . . . 0 N--CA 1.478 0.927 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m -130.74 130.28 43.58 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.3 m -136.59 116.53 13.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 -176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.505 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 67.7 m -100.4 161.61 23.49 Favored Pre-proline 0 C--N 1.319 -0.745 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.212 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 44' ' ' TYR . 24.5 Cg_exo -66.26 -150.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.832 2.355 . . . . 0.0 110.782 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -38.94 136.97 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.71 0.404 . . . . 0.0 111.127 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -44.53 -37.01 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.496 -171.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.8 t -49.72 -46.17 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.889 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.8 78.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.28 0.562 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 57.7 ttt180 -67.87 -41.1 83.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.882 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 m -61.92 -43.85 97.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -64.46 -45.57 86.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.949 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -58.32 -45.37 88.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -63.02 -46.15 88.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.2 -176.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.53 -36.12 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 110.876 178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' HB ' ' A' ' 21' ' ' THR . 54.0 t -65.19 -40.4 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -83.81 10.32 9.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.81 0.338 . . . . 0.0 111.034 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.54 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.5 tm? -80.59 -55.01 0.75 Allowed Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.449 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 5.0 Cg_exo -77.8 31.48 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.548 2.165 . . . . 0.0 113.439 -174.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.29 28.91 61.04 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 16' ' ' CYS . 32.3 m -91.22 131.71 36.0 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -44.82 126.88 7.78 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.22 2.613 . . . . 0.0 113.411 -175.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.7 mp0 -54.17 -47.33 72.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.86 -177.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.42 84.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.811 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.23 -38.99 92.1 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.082 0.468 . . . . 0.0 110.454 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.6 m -77.26 -29.7 54.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.481 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.75 -45.34 71.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.752 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.9 m -66.62 -26.02 66.88 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.438 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -78.47 -33.56 48.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.456 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p -95.11 -35.7 11.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.016 -176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.81 25.82 7.04 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.517 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.4 t -96.68 148.4 22.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.0 pt -110.41 146.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.223 0.535 . . . . 0.0 111.824 -175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.4 mt -119.76 122.08 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.585 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.547 HG13 ' HB ' ' A' ' 1' ' ' THR . 21.1 pt -134.04 153.57 79.77 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.658 -175.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -91.82 77.4 0.48 Allowed 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.493 2.795 . . . . 0.0 111.569 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.82 4.48 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.293 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.17 -32.69 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 t -130.34 -173.78 3.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 120.737 0.303 . . . . 0.0 110.681 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.4 m -117.02 157.5 46.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.481 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.576 ' HG2' ' HE1' ' A' ' 44' ' ' TYR . 21.1 Cg_exo -66.19 176.74 3.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.892 2.395 . . . . 0.0 112.223 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.29 -28.98 23.57 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.448 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.62 -52.05 59.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.231 0.538 . . . . 0.0 110.192 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.576 ' HE1' ' HG2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -129.88 99.54 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.771 177.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.81 86.32 2.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.758 173.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.209 -0.901 . . . . 0.0 109.124 -179.27 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.549 ' HB ' HG13 ' A' ' 35' ' ' ILE . 5.3 m . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.3 t -123.48 138.94 54.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.096 0.474 . . . . 0.0 109.997 174.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.6 m -134.9 145.71 48.5 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.222 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 m -127.92 150.34 73.25 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -73.24 150.85 48.09 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.318 2.012 . . . . 0.0 112.181 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t 50.96 175.95 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.658 -1.156 . . . . 0.0 112.604 -173.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.84 HD13 ' HB3' ' A' ' 46' ' ' ASN . 27.1 mm -82.72 -32.0 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.309 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.31 -32.57 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.502 -172.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 30' ' ' THR . . . -66.55 -34.32 77.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.178 178.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ttm-85 -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.807 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.9 p -69.17 -38.67 78.82 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.592 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -62.93 -37.61 87.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.006 0.431 . . . . 0.0 110.556 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.51 -41.66 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.402 177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -63.96 -39.32 93.87 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.747 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -61.47 -38.92 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.931 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 11.9 t -53.8 -46.57 71.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.119 0.485 . . . . 0.0 111.88 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -92.68 11.47 26.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.962 0.41 . . . . 0.0 111.514 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 7.0 tt -75.26 -55.04 2.3 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.543 177.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 73.1 Cg_endo -77.43 -41.17 0.36 Allowed 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.642 1.561 . . . . 0.0 111.952 176.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.83 46.22 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.984 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.476 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 44.1 m -93.16 138.13 23.32 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 82.7 Cg_exo -46.56 121.05 4.37 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.809 2.339 . . . . 0.0 113.414 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -51.59 -50.64 59.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.257 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.48 97.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.533 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.655 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.7 tt -55.31 -45.9 76.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.258 0.552 . . . . 0.0 110.49 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.0 m -74.09 -34.17 63.89 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.242 -177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.35 65.07 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 m -63.04 -40.81 98.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.39 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -81.85 -38.71 25.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.186 0.517 . . . . 0.0 110.75 -174.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.549 HG22 ' HB1' ' A' ' 9' ' ' ALA . 4.2 m -81.4 -5.78 58.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.499 -174.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.79 36.46 52.94 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.394 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.09 143.87 25.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 pt -98.1 155.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.71 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.5 mt -126.63 109.36 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.549 HG13 ' HB ' ' A' ' 1' ' ' THR . 18.4 pt -117.46 134.13 23.17 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.321 176.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo -61.77 -27.96 81.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.975 2.45 . . . . 0.0 112.708 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.42 176.48 32.21 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.398 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 74.44 152.76 0.13 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.658 0.742 . . . . 0.0 110.838 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.8 t -100.14 156.46 17.18 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.058 -0.973 . . . . 0.0 110.142 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.769 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 60.6 m -85.29 143.69 39.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.618 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -62.06 152.88 72.88 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.689 2.26 . . . . 0.0 111.579 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.27 -22.23 62.92 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 113.685 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.57 -38.88 92.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.998 0.428 . . . . 0.0 111.02 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -100.14 -39.07 8.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.504 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.769 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . . . -79.1 110.06 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.332 . . . . 0.0 110.504 -176.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.84 ' HB3' HD13 ' A' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.804 177.837 . . . . . . . . 2 2 . 1 stop_ save_